N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide

C12H19N3O — CID 141085833

IUPACN-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCC1CCCCN1)c1ccc[nH]1
InChIInChI=1S/C12H19N3O/c16-12(11-5-3-8-14-11)15-9-6-10-4-1-2-7-13-10/h3,5,8,10,13-14H,1-2,4,6-7,9H2,(H,15,16)
InChIKeyRBVDSJDYDVTIGU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.28
Rot. Bonds4

About N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide

N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 141085833) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide
PubChem CID141085833
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCC1CCCCN1)c1ccc[nH]1
InChIInChI=1S/C12H19N3O/c16-12(11-5-3-8-14-11)15-9-6-10-4-1-2-7-13-10/h3,5,8,10,13-14H,1-2,4,6-7,9H2,(H,15,16)
InChIKeyRBVDSJDYDVTIGU-UHFFFAOYSA-N
XLogP1.28
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104972057
2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone
CID 71645064
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 104972137
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
2-(4-fluorophenyl)-N-(2-piperidin-2-ylethyl)acetamide
CID 24704522
4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 104971798
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
2-(2,6-difluorophenyl)-N-(2-pyrrolidin-2-ylethyl)acetamide
CID 114793681
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-indole-6-carboxamide
CID 104971741
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide
CID 79749077
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955194

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide (CID 141085833) is N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide is O=C(NCCC1CCCCN1)c1ccc[nH]1.
What is the InChIKey of N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is RBVDSJDYDVTIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12(11-5-3-8-14-11)15-9-6-10-4-1-2-7-13-10/h3,5,8,10,13-14H,1-2,4,6-7,9H2,(H,15,16).
What are the key properties of N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide?
N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 141085833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).