N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide

C17H27N3O — CID 62716452

IUPACN-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cccn1C1CCNCC1)C1CCCC1
InChIInChI=1S/C17H27N3O/c1-2-19(14-6-3-4-7-14)17(21)16-8-5-13-20(16)15-9-11-18-12-10-15/h5,8,13-15,18H,2-4,6-7,9-12H2,1H3
InChIKeyQOMBREBHOXKMAW-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.82
Rot. Bonds4

About N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide

N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 62716452) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID62716452
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cccn1C1CCNCC1)C1CCCC1
InChIInChI=1S/C17H27N3O/c1-2-19(14-6-3-4-7-14)17(21)16-8-5-13-20(16)15-9-11-18-12-10-15/h5,8,13-15,18H,2-4,6-7,9-12H2,1H3
InChIKeyQOMBREBHOXKMAW-UHFFFAOYSA-N
XLogP2.82
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide (CID 62716452) is N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide is CCN(C(=O)c1cccn1C1CCNCC1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is QOMBREBHOXKMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-19(14-6-3-4-7-14)17(21)16-8-5-13-20(16)15-9-11-18-12-10-15/h5,8,13-15,18H,2-4,6-7,9-12H2,1H3.
What are the key properties of N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide?
N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 62716452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).