4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one

C20H24ClN3O — CID 58378301

IUPAC4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one
SMILESNCCCC(=O)C1CCN(c2c(Cl)cncc2-c2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O/c21-18-14-23-13-17(15-5-2-1-3-6-15)20(18)24-11-8-16(9-12-24)19(25)7-4-10-22/h1-3,5-6,13-14,16H,4,7-12,22H2
InChIKeyQGOKWWHALJNKNY-UHFFFAOYSA-N
MW357.88 g/mol
LogP3.93
Rot. Bonds6

About 4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one

4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one (PubChem CID 58378301) has the molecular formula C20H24ClN3O and a molecular weight of 357.88 g/mol. Its IUPAC name is 4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one
PubChem CID58378301
Molecular FormulaC20H24ClN3O
Molecular Weight357.88 g/mol
Exact Mass357.16
IUPAC Name4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one
SMILESNCCCC(=O)C1CCN(c2c(Cl)cncc2-c2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O/c21-18-14-23-13-17(15-5-2-1-3-6-15)20(18)24-11-8-16(9-12-24)19(25)7-4-10-22/h1-3,5-6,13-14,16H,4,7-12,22H2
InChIKeyQGOKWWHALJNKNY-UHFFFAOYSA-N
XLogP3.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Chloro-5-phenylpyridin-4-yl)piperidine-4-carboxamide
CID 45275459
1-(3-Chloro-5-(4-fluorophenyl)pyridin-4-yl)piperidine-4-carboxamide
CID 45275571
1-(5-Chloro-3,4'-bipyridin-4-yl)piperidine-4-carboxamide
CID 45275779
1-[3-Chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide
CID 45275784
8-(3-Chloro-5-(4-(4-methylpiperazin-1-yl)phenyl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 91928418
1-[3-Chloro-5-(3-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 118730659
1-[3-Chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 118730660
8-[3-Chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118730673
8-[3-Chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118730674
8-[3-Chloro-5-(4-piperazin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118730675
8-[3-Chloro-5-(4-pyridin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118730676
8-(3-Chloro-5-naphthalen-1-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
CID 162668464

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one?
The IUPAC name of 4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one (CID 58378301) is 4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one is NCCCC(=O)C1CCN(c2c(Cl)cncc2-c2ccccc2)CC1.
What is the InChIKey of 4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one?
The InChIKey is QGOKWWHALJNKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c21-18-14-23-13-17(15-5-2-1-3-6-15)20(18)24-11-8-16(9-12-24)19(25)7-4-10-22/h1-3,5-6,13-14,16H,4,7-12,22H2.
What are the key properties of 4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one?
4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one has a molecular weight of 357.88 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[1-(3-chloro-5-phenyl-4-pyridinyl)piperidin-4-yl]butan-1-one is sourced from PubChem (CID 58378301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).