N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide

C18H22N4O2 — CID 126839220

IUPACN-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide
SMILESCC(c1ncccn1)N1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C18H22N4O2/c1-13(17-19-9-4-10-20-17)22-11-7-14(8-12-22)18(24)21-15-5-2-3-6-16(15)23/h2-6,9-10,13-14,23H,7-8,11-12H2,1H3,(H,21,24)
InChIKeyMFFKWGFATIGKDA-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.59
Rot. Bonds4

About N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide

N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide (PubChem CID 126839220) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide
PubChem CID126839220
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide
SMILESCC(c1ncccn1)N1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C18H22N4O2/c1-13(17-19-9-4-10-20-17)22-11-7-14(8-12-22)18(24)21-15-5-2-3-6-16(15)23/h2-6,9-10,13-14,23H,7-8,11-12H2,1H3,(H,21,24)
InChIKeyMFFKWGFATIGKDA-UHFFFAOYSA-N
XLogP2.59
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489471
N-(2-hydroxyphenyl)-1-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489479
1-(2-hydroxycyclohexyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 110883481
1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 97313014
N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41099612
1-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 26385714
1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 41112937
N-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 126839215
N-(2-hydroxyphenyl)-1-[(4-propan-2-ylphenyl)carbamothioyl]piperidine-4-carboxamide
CID 9238854
N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 34722221
1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 47055282

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide (CID 126839220) is N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide is CC(c1ncccn1)N1CCC(C(=O)Nc2ccccc2O)CC1.
What is the InChIKey of N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is MFFKWGFATIGKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(17-19-9-4-10-20-17)22-11-7-14(8-12-22)18(24)21-15-5-2-3-6-16(15)23/h2-6,9-10,13-14,23H,7-8,11-12H2,1H3,(H,21,24).
What are the key properties of N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide?
N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 126839220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).