N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide

C21H28N4O2 — CID 16981751

IUPACN-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
SMILESO=C(NCCCc1nc2ccccc2n1CC(=O)N1CCCCC1)C1CC1
InChIInChI=1S/C21H28N4O2/c26-20(24-13-4-1-5-14-24)15-25-18-8-3-2-7-17(18)23-19(25)9-6-12-22-21(27)16-10-11-16/h2-3,7-8,16H,1,4-6,9-15H2,(H,22,27)
InChIKeyRDZLMAZPUCPEJS-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.51
Rot. Bonds7

About N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide

N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide (PubChem CID 16981751) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
PubChem CID16981751
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
SMILESO=C(NCCCc1nc2ccccc2n1CC(=O)N1CCCCC1)C1CC1
InChIInChI=1S/C21H28N4O2/c26-20(24-13-4-1-5-14-24)15-25-18-8-3-2-7-17(18)23-19(25)9-6-12-22-21(27)16-10-11-16/h2-3,7-8,16H,1,4-6,9-15H2,(H,22,27)
InChIKeyRDZLMAZPUCPEJS-UHFFFAOYSA-N
XLogP2.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981590
N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981912
N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989089
N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981753
N-[5-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989093
N-[3-(1-prop-2-ynylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 16981538
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986136
N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031298
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966317
N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031290
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989110
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981612

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide (CID 16981751) is N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide is O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCCCC1)C1CC1.
What is the InChIKey of N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
The InChIKey is RDZLMAZPUCPEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-20(24-13-4-1-5-14-24)15-25-18-8-3-2-7-17(18)23-19(25)9-6-12-22-21(27)16-10-11-16/h2-3,7-8,16H,1,4-6,9-15H2,(H,22,27).
What are the key properties of N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide is sourced from PubChem (CID 16981751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).