N-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide

C23H33N5O2 — CID 131897369

IUPACN-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide
SMILESCc1nc2ccccc2n1CCC(=O)NC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C23H33N5O2/c1-17-24-20-9-5-6-10-21(20)28(17)16-13-22(29)25-19-11-14-27(15-12-19)23(30)26-18-7-3-2-4-8-18/h5-6,9-10,18-19H,2-4,7-8,11-16H2,1H3,(H,25,29)(H,26,30)
InChIKeyCIKBURATZCWFHU-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.36
Rot. Bonds5

About N-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide

N-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide (PubChem CID 131897369) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide
PubChem CID131897369
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide
SMILESCc1nc2ccccc2n1CCC(=O)NC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C23H33N5O2/c1-17-24-20-9-5-6-10-21(20)28(17)16-13-22(29)25-19-11-14-27(15-12-19)23(30)26-18-7-3-2-4-8-18/h5-6,9-10,18-19H,2-4,7-8,11-16H2,1H3,(H,25,29)(H,26,30)
InChIKeyCIKBURATZCWFHU-UHFFFAOYSA-N
XLogP3.36
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide (CID 131897369) is N-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide is Cc1nc2ccccc2n1CCC(=O)NC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide?
The InChIKey is CIKBURATZCWFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-17-24-20-9-5-6-10-21(20)28(17)16-13-22(29)25-19-11-14-27(15-12-19)23(30)26-18-7-3-2-4-8-18/h5-6,9-10,18-19H,2-4,7-8,11-16H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide?
N-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide is sourced from PubChem (CID 131897369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).