N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide

C17H23N5O2 — CID 126448321

IUPACN-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide
SMILESCc1ccc2nc([C@H](NC(=O)N3CCNC(=O)C3)C(C)C)[nH]c2c1
InChIInChI=1S/C17H23N5O2/c1-10(2)15(21-17(24)22-7-6-18-14(23)9-22)16-19-12-5-4-11(3)8-13(12)20-16/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,18,23)(H,19,20)(H,21,24)/t15-/m1/s1
InChIKeyWEJMIOURWZVXDX-OAHLLOKOSA-N
MW329.40 g/mol
LogP1.71
Rot. Bonds3

About N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide

N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide (PubChem CID 126448321) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide
PubChem CID126448321
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide
SMILESCc1ccc2nc([C@H](NC(=O)N3CCNC(=O)C3)C(C)C)[nH]c2c1
InChIInChI=1S/C17H23N5O2/c1-10(2)15(21-17(24)22-7-6-18-14(23)9-22)16-19-12-5-4-11(3)8-13(12)20-16/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,18,23)(H,19,20)(H,21,24)/t15-/m1/s1
InChIKeyWEJMIOURWZVXDX-OAHLLOKOSA-N
XLogP1.71
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
CID 95201522
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
CID 95192585
1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide
CID 86284531
5,6-dimethyl-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 131935989
5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid
CID 124755764
N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide
CID 99973307
N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
CID 75454935
2-ethyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyrimidine-5-carboxamide
CID 125164946
N-[(1R,2S)-1,2-bis(4-chlorophenyl)-2-[(2,4-dimethylbenzoyl)amino]ethyl]-3-oxopiperazine-1-carboxamide
CID 67125969
5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide
CID 118778051
N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-pyrazin-2-ylpropanamide
CID 118782048
N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide
CID 131889490

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide (CID 126448321) is N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide is Cc1ccc2nc([C@H](NC(=O)N3CCNC(=O)C3)C(C)C)[nH]c2c1.
What is the InChIKey of N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is WEJMIOURWZVXDX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10(2)15(21-17(24)22-7-6-18-14(23)9-22)16-19-12-5-4-11(3)8-13(12)20-16/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,18,23)(H,19,20)(H,21,24)/t15-/m1/s1.
What are the key properties of N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide?
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 126448321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).