1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide

C18H29N3O — CID 72839938

IUPAC1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCn1cccc1)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H29N3O/c22-18(19-10-15-20-11-4-5-12-20)16-8-13-21(14-9-16)17-6-2-1-3-7-17/h4-5,11-12,16-17H,1-3,6-10,13-15H2,(H,19,22)
InChIKeyKZZGLQMSKABVJA-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.65
Rot. Bonds5

About 1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide

1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide (PubChem CID 72839938) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
PubChem CID72839938
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCn1cccc1)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H29N3O/c22-18(19-10-15-20-11-4-5-12-20)16-8-13-21(14-9-16)17-6-2-1-3-7-17/h4-5,11-12,16-17H,1-3,6-10,13-15H2,(H,19,22)
InChIKeyKZZGLQMSKABVJA-UHFFFAOYSA-N
XLogP2.65
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide (CID 72839938) is 1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide is O=C(NCCn1cccc1)C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is KZZGLQMSKABVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c22-18(19-10-15-20-11-4-5-12-20)16-8-13-21(14-9-16)17-6-2-1-3-7-17/h4-5,11-12,16-17H,1-3,6-10,13-15H2,(H,19,22).
What are the key properties of 1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide?
1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 72839938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).