N-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

C29H44N6O3 — CID 70696845

IUPACN-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCC(C)C[C@@H](NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C29H44N6O3/c1-21(2)20-25(27(36)33-16-10-22(11-17-33)32-14-6-3-7-15-32)31-28(37)34-18-12-23(13-19-34)35-26-9-5-4-8-24(26)30-29(35)38/h4-5,8-9,21-23,25H,3,6-7,10-20H2,1-2H3,(H,30,38)(H,31,37)/t25-/m1/s1
InChIKeyKCPUZNAAPSFNSG-RUZDIDTESA-N
MW524.71 g/mol
LogP3.57
Rot. Bonds6

About N-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

N-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 70696845) has the molecular formula C29H44N6O3 and a molecular weight of 524.71 g/mol. Its IUPAC name is N-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
PubChem CID70696845
Molecular FormulaC29H44N6O3
Molecular Weight524.71 g/mol
Exact Mass524.35
IUPAC NameN-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCC(C)C[C@@H](NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C29H44N6O3/c1-21(2)20-25(27(36)33-16-10-22(11-17-33)32-14-6-3-7-15-32)31-28(37)34-18-12-23(13-19-34)35-26-9-5-4-8-24(26)30-29(35)38/h4-5,8-9,21-23,25H,3,6-7,10-20H2,1-2H3,(H,30,38)(H,31,37)/t25-/m1/s1
InChIKeyKCPUZNAAPSFNSG-RUZDIDTESA-N
XLogP3.57
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.71
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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1-(1-{(2S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1-oxopropan-2-yl}piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 166451583
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)palmitamide
CID 25105697
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CID 45102745
2-(3-(1-cyclodecylpiperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
CID 46880032
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CID 10836894
N-((2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-morpholinoethyl)-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
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CID 14762864
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CID 14762865
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CID 44249188
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CID 59751675

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (CID 70696845) is N-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is CC(C)C[C@@H](NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The InChIKey is KCPUZNAAPSFNSG-RUZDIDTESA-N. The full InChI is InChI=1S/C29H44N6O3/c1-21(2)20-25(27(36)33-16-10-22(11-17-33)32-14-6-3-7-15-32)31-28(37)34-18-12-23(13-19-34)35-26-9-5-4-8-24(26)30-29(35)38/h4-5,8-9,21-23,25H,3,6-7,10-20H2,1-2H3,(H,30,38)(H,31,37)/t25-/m1/s1.
What are the key properties of N-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
N-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 524.71 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 70696845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).