ethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate

C21H28N4O3 — CID 3236001

IUPACethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)ncn3C2CCCC2)CC1
InChIInChI=1S/C21H28N4O3/c1-2-28-21(27)24-11-9-16(10-12-24)23-20(26)15-7-8-19-18(13-15)22-14-25(19)17-5-3-4-6-17/h7-8,13-14,16-17H,2-6,9-12H2,1H3,(H,23,26)
InChIKeyVBMCYDZKDXAJQL-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.50
Rot. Bonds4

About ethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 3236001) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is ethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate
PubChem CID3236001
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Nameethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)ncn3C2CCCC2)CC1
InChIInChI=1S/C21H28N4O3/c1-2-28-21(27)24-11-9-16(10-12-24)23-20(26)15-7-8-19-18(13-15)22-14-25(19)17-5-3-4-6-17/h7-8,13-14,16-17H,2-6,9-12H2,1H3,(H,23,26)
InChIKeyVBMCYDZKDXAJQL-UHFFFAOYSA-N
XLogP3.50
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate (CID 3236001) is ethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)ncn3C2CCCC2)CC1.
What is the InChIKey of ethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is VBMCYDZKDXAJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-2-28-21(27)24-11-9-16(10-12-24)23-20(26)15-7-8-19-18(13-15)22-14-25(19)17-5-3-4-6-17/h7-8,13-14,16-17H,2-6,9-12H2,1H3,(H,23,26).
What are the key properties of ethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-cyclopentylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 3236001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).