N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

C33H36Br2N6O5 — CID 22945316

IUPACN-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H](Cc2cc(Br)c(O)c(Br)c2)NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C33H36Br2N6O5/c1-46-29-9-5-4-8-28(29)38-14-16-39(17-15-38)31(43)26(20-21-18-23(34)30(42)24(35)19-21)37-32(44)40-12-10-22(11-13-40)41-27-7-3-2-6-25(27)36-33(41)45/h2-9,18-19,22,26,42H,10-17,20H2,1H3,(H,36,45)(H,37,44)/t26-/m1/s1
InChIKeyMONKQTOIUPOWGC-AREMUKBSSA-N
MW756.50 g/mol
LogP4.88
Rot. Bonds7

About N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 22945316) has the molecular formula C33H36Br2N6O5 and a molecular weight of 756.50 g/mol. Its IUPAC name is N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
PubChem CID22945316
Molecular FormulaC33H36Br2N6O5
Molecular Weight756.50 g/mol
Exact Mass754.11
IUPAC NameN-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H](Cc2cc(Br)c(O)c(Br)c2)NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C33H36Br2N6O5/c1-46-29-9-5-4-8-28(29)38-14-16-39(17-15-38)31(43)26(20-21-18-23(34)30(42)24(35)19-21)37-32(44)40-12-10-22(11-13-40)41-27-7-3-2-6-25(27)36-33(41)45/h2-9,18-19,22,26,42H,10-17,20H2,1H3,(H,36,45)(H,37,44)/t26-/m1/s1
InChIKeyMONKQTOIUPOWGC-AREMUKBSSA-N
XLogP4.88
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500756.50
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 22945331
N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-(6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 22945358
N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carboxamide
CID 22945362
N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-oxo-1-(4-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 22945427
N-[(2R)-3-(3,5-dichloro-4-hydroxyphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 22945416
2-amino-2-methyl-N-[3-naphthalen-2-yl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]propanamide;hydrochloride
CID 21221990
tert-butyl N-[(5S)-5-[[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-[[4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbonyl]amino]propanoyl]amino]-6-oxo-6-(4-pyridin-4-ylpiperazin-1-yl)hexyl]carbamate
CID 87601589
N-[(2R)-1-[[(2S)-6-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxohexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 70201158
N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide
CID 44756255
N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-(4-pyridin-4-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3,4-dihydroquinazolin-1-yl)piperidine-1-carboxamide
CID 22945370
N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 11721849
methyl 2-[4-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 10440384

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (CID 22945316) is N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is COc1ccccc1N1CCN(C(=O)[C@@H](Cc2cc(Br)c(O)c(Br)c2)NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1.
What is the InChIKey of N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The InChIKey is MONKQTOIUPOWGC-AREMUKBSSA-N. The full InChI is InChI=1S/C33H36Br2N6O5/c1-46-29-9-5-4-8-28(29)38-14-16-39(17-15-38)31(43)26(20-21-18-23(34)30(42)24(35)19-21)37-32(44)40-12-10-22(11-13-40)41-27-7-3-2-6-25(27)36-33(41)45/h2-9,18-19,22,26,42H,10-17,20H2,1H3,(H,36,45)(H,37,44)/t26-/m1/s1.
What are the key properties of N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 756.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 22945316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).