[2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone

C20H23N3O — CID 102540373

IUPAC[2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCCC1c1ccc(NC2CC2)nc1
InChIInChI=1S/C20H23N3O/c24-20(15-6-2-1-3-7-15)23-13-5-4-8-18(23)16-9-12-19(21-14-16)22-17-10-11-17/h1-3,6-7,9,12,14,17-18H,4-5,8,10-11,13H2,(H,21,22)
InChIKeyVRJMCMRGPRSSMZ-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.02
Rot. Bonds4

About [2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone

[2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone (PubChem CID 102540373) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is [2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone
PubChem CID102540373
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name[2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCCC1c1ccc(NC2CC2)nc1
InChIInChI=1S/C20H23N3O/c24-20(15-6-2-1-3-7-15)23-13-5-4-8-18(23)16-9-12-19(21-14-16)22-17-10-11-17/h1-3,6-7,9,12,14,17-18H,4-5,8,10-11,13H2,(H,21,22)
InChIKeyVRJMCMRGPRSSMZ-UHFFFAOYSA-N
XLogP4.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102540166
[2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102539784
[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102541890
phenyl-[(2R)-2-quinolin-6-ylpiperidin-1-yl]methanone
CID 124501089
phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone
CID 124500188
[2-(furan-3-yl)piperidin-1-yl]-phenylmethanone
CID 102544350
tert-butyl N-[5-(1-benzoylpiperidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541141
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102539733
(4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride
CID 119737788
N-cyclobutyl-5-(1-ethylpiperidin-2-yl)pyridin-2-amine
CID 102540395
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597

Frequently Asked Questions

What is the IUPAC name of [2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone (CID 102540373) is [2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCCC1c1ccc(NC2CC2)nc1.
What is the InChIKey of [2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is VRJMCMRGPRSSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(15-6-2-1-3-7-15)23-13-5-4-8-18(23)16-9-12-19(21-14-16)22-17-10-11-17/h1-3,6-7,9,12,14,17-18H,4-5,8,10-11,13H2,(H,21,22).
What are the key properties of [2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone?
[2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 321.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 102540373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).