2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone

C12H19N3O — CID 71645064

IUPAC2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(CNCC1CCCCN1)c1ccc[nH]1
InChIInChI=1S/C12H19N3O/c16-12(11-5-3-7-15-11)9-13-8-10-4-1-2-6-14-10/h3,5,7,10,13-15H,1-2,4,6,8-9H2
InChIKeyOIWCHKFIARRHAT-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.93
Rot. Bonds5

About 2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone

2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 71645064) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone
PubChem CID71645064
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(CNCC1CCCCN1)c1ccc[nH]1
InChIInChI=1S/C12H19N3O/c16-12(11-5-3-7-15-11)9-13-8-10-4-1-2-6-14-10/h3,5,7,10,13-15H,1-2,4,6,8-9H2
InChIKeyOIWCHKFIARRHAT-UHFFFAOYSA-N
XLogP0.93
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 141085833
2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 71641896
2-cycloheptyl-1-(1H-pyrrol-2-yl)ethanone
CID 114457367
1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone
CID 97165678
2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone
CID 97165671
N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine
CID 116906796
[(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone
CID 140972419
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone
CID 97165683
1-cyclobutyl-N-(piperidin-2-ylmethyl)methanamine
CID 106633110
2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone
CID 79538703

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone (CID 71645064) is 2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone is O=C(CNCC1CCCCN1)c1ccc[nH]1.
What is the InChIKey of 2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is OIWCHKFIARRHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12(11-5-3-7-15-11)9-13-8-10-4-1-2-6-14-10/h3,5,7,10,13-15H,1-2,4,6,8-9H2.
What are the key properties of 2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone?
2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 221.30 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 71645064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).