[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone

C19H26N4O — CID 56912433

IUPAC[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
SMILESCc1c[nH]c(C(=O)N2CCCC(N(C)CCc3ccccn3)C2)c1
InChIInChI=1S/C19H26N4O/c1-15-12-18(21-13-15)19(24)23-10-5-7-17(14-23)22(2)11-8-16-6-3-4-9-20-16/h3-4,6,9,12-13,17,21H,5,7-8,10-11,14H2,1-2H3
InChIKeyFLSQLNNTCJVSTN-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.50
Rot. Bonds5

About [3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone

[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone (PubChem CID 56912433) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
PubChem CID56912433
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
SMILESCc1c[nH]c(C(=O)N2CCCC(N(C)CCc3ccccn3)C2)c1
InChIInChI=1S/C19H26N4O/c1-15-12-18(21-13-15)19(24)23-10-5-7-17(14-23)22(2)11-8-16-6-3-4-9-20-16/h3-4,6,9,12-13,17,21H,5,7-8,10-11,14H2,1-2H3
InChIKeyFLSQLNNTCJVSTN-UHFFFAOYSA-N
XLogP2.50
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone with MolForge

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Related Compounds

[(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 95727240
1-ethyl-6-methyl-3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidine-1-carbonyl]pyridin-2-one
CID 56894066
(2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone
CID 56701731
2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone
CID 45179784
methyl 4-[[3-[methyl(2-pyridin-2-ylethyl)amino]piperidine-1-carbonyl]amino]benzoate
CID 45234205
[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 45249482
(3R)-1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 42521946
(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 95757599
1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 45208601
1-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]prop-2-en-1-one
CID 166764311
N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 97269848
isoquinolin-1-yl-[(3S)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 25296938

Frequently Asked Questions

What is the IUPAC name of [3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of [3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone (CID 56912433) is [3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone is Cc1c[nH]c(C(=O)N2CCCC(N(C)CCc3ccccn3)C2)c1.
What is the InChIKey of [3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
The InChIKey is FLSQLNNTCJVSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-12-18(21-13-15)19(24)23-10-5-7-17(14-23)22(2)11-8-16-6-3-4-9-20-16/h3-4,6,9,12-13,17,21H,5,7-8,10-11,14H2,1-2H3.
What are the key properties of [3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone?
[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone has a molecular weight of 326.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 56912433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).