1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone

C16H18N4O — CID 95834066

IUPAC1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccc(-c3cncnc3)cn2)CC1
InChIInChI=1S/C16H18N4O/c1-12(21)20-6-4-13(5-7-20)16-3-2-14(10-19-16)15-8-17-11-18-9-15/h2-3,8-11,13H,4-7H2,1H3
InChIKeyBOIPCUGDHWVITO-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.26
Rot. Bonds2

About 1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone

1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone (PubChem CID 95834066) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone
PubChem CID95834066
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccc(-c3cncnc3)cn2)CC1
InChIInChI=1S/C16H18N4O/c1-12(21)20-6-4-13(5-7-20)16-3-2-14(10-19-16)15-8-17-11-18-9-15/h2-3,8-11,13H,4-7H2,1H3
InChIKeyBOIPCUGDHWVITO-UHFFFAOYSA-N
XLogP2.26
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825184
pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 110268573
4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-pyridinyl]benzoic acid
CID 175660741
1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95846969
3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 110263839
3-[6-(1-acetylpiperidin-3-yl)-3-pyridinyl]benzoic acid
CID 110112133
1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825074
1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 95825591
(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155980899
1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124959024
1-acetyl-N-[(6-cyclopropyl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 134160793
2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone
CID 127250284

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone (CID 95834066) is 1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2ccc(-c3cncnc3)cn2)CC1.
What is the InChIKey of 1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone?
The InChIKey is BOIPCUGDHWVITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12(21)20-6-4-13(5-7-20)16-3-2-14(10-19-16)15-8-17-11-18-9-15/h2-3,8-11,13H,4-7H2,1H3.
What are the key properties of 1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone?
1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone has a molecular weight of 282.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95834066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).