3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide

C16H18N4O2 — CID 48739524

IUPAC3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)N1CCCC(O)C1
InChIInChI=1S/C16H18N4O2/c21-14-7-4-8-20(11-14)16(22)19-13-9-17-15(18-10-13)12-5-2-1-3-6-12/h1-3,5-6,9-10,14,21H,4,7-8,11H2,(H,19,22)
InChIKeyPZZURCIQGWWBOU-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.13
Rot. Bonds2

About 3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide

3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide (PubChem CID 48739524) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
PubChem CID48739524
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)N1CCCC(O)C1
InChIInChI=1S/C16H18N4O2/c21-14-7-4-8-20(11-14)16(22)19-13-9-17-15(18-10-13)12-5-2-1-3-6-12/h1-3,5-6,9-10,14,21H,4,7-8,11H2,(H,19,22)
InChIKeyPZZURCIQGWWBOU-UHFFFAOYSA-N
XLogP2.13
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-phenylpyrimidin-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122076993
1-cyclopropyl-N-(2-phenylpyrimidin-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
CID 127623587
3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide
CID 136521775
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
3-hydroxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 53499809
(3R)-N-[4-(cyclopentylcarbamoyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 94153607
(3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone
CID 170207899
(2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
CID 97201683
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
3-methyl-1-[(2-phenylpyrimidin-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076984
3-hydroxy-N-[3-(2-phenylethoxy)phenyl]piperidine-1-carboxamide
CID 110896856
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide (CID 48739524) is 3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide is O=C(Nc1cnc(-c2ccccc2)nc1)N1CCCC(O)C1.
What is the InChIKey of 3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide?
The InChIKey is PZZURCIQGWWBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-14-7-4-8-20(11-14)16(22)19-13-9-17-15(18-10-13)12-5-2-1-3-6-12/h1-3,5-6,9-10,14,21H,4,7-8,11H2,(H,19,22).
What are the key properties of 3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide?
3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 48739524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).