1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone

C20H25N3O — CID 95828832

IUPAC1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
SMILESCN(C)c1ccc(C2CCN(C(=O)Cc3ccccc3)CC2)nc1
InChIInChI=1S/C20H25N3O/c1-22(2)18-8-9-19(21-15-18)17-10-12-23(13-11-17)20(24)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3
InChIKeyMRCWXPWBXGUXAT-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.10
Rot. Bonds4

About 1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone

1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone (PubChem CID 95828832) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
PubChem CID95828832
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
SMILESCN(C)c1ccc(C2CCN(C(=O)Cc3ccccc3)CC2)nc1
InChIInChI=1S/C20H25N3O/c1-22(2)18-8-9-19(21-15-18)17-10-12-23(13-11-17)20(24)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3
InChIKeyMRCWXPWBXGUXAT-UHFFFAOYSA-N
XLogP3.10
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone with MolForge

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Related Compounds

1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809910
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one
CID 129460164
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
CID 174895598
1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 92618153
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900175
1-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenylethanone
CID 70761971
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
2-(3-fluorophenyl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 118775431
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone (CID 95828832) is 1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone is CN(C)c1ccc(C2CCN(C(=O)Cc3ccccc3)CC2)nc1.
What is the InChIKey of 1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is MRCWXPWBXGUXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22(2)18-8-9-19(21-15-18)17-10-12-23(13-11-17)20(24)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3.
What are the key properties of 1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone?
1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 323.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 95828832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).