N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide

C25H30N4O3 — CID 44756255

IUPACN-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C25H30N4O3/c1-17(2)16-21(26-23(30)18-8-4-3-5-9-18)24(31)28-14-12-19(13-15-28)29-22-11-7-6-10-20(22)27-25(29)32/h3-11,17,19,21H,12-16H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyIEAOZJWAOMBXES-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.34
Rot. Bonds6

About N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide

N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide (PubChem CID 44756255) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide
PubChem CID44756255
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C25H30N4O3/c1-17(2)16-21(26-23(30)18-8-4-3-5-9-18)24(31)28-14-12-19(13-15-28)29-22-11-7-6-10-20(22)27-25(29)32/h3-11,17,19,21H,12-16H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyIEAOZJWAOMBXES-UHFFFAOYSA-N
XLogP3.34
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-6-amino-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]hexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 59751675
3-[1-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 40880204
3-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119696098
3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119274801
3-amino-3-methyl-N-[(2R)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-phenylmethoxypropan-2-yl]butanamide;hydrochloride
CID 18391285
4-chloro-N-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 17436936
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
[1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid
CID 18391240
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
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
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
2-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 17411944

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide?
The IUPAC name of N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide (CID 44756255) is N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide.
What is the SMILES notation for N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide?
The canonical SMILES for N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide?
The InChIKey is IEAOZJWAOMBXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17(2)16-21(26-23(30)18-8-4-3-5-9-18)24(31)28-14-12-19(13-15-28)29-22-11-7-6-10-20(22)27-25(29)32/h3-11,17,19,21H,12-16H2,1-2H3,(H,26,30)(H,27,32).
What are the key properties of N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide?
N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide is sourced from PubChem (CID 44756255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).