N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C17H20N4O2 — CID 3221265

IUPACN-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3ncccn3)C2)cc1
InChIInChI=1S/C17H20N4O2/c1-23-15-7-5-14(6-8-15)20-16(22)13-4-2-11-21(12-13)17-18-9-3-10-19-17/h3,5-10,13H,2,4,11-12H2,1H3,(H,20,22)
InChIKeyHBYDRUIVLZFKPU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.34
Rot. Bonds4

About N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 3221265) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID3221265
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3ncccn3)C2)cc1
InChIInChI=1S/C17H20N4O2/c1-23-15-7-5-14(6-8-15)20-16(22)13-4-2-11-21(12-13)17-18-9-3-10-19-17/h3,5-10,13H,2,4,11-12H2,1H3,(H,20,22)
InChIKeyHBYDRUIVLZFKPU-UHFFFAOYSA-N
XLogP2.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-Methoxyphenyl)-1-piperazinyl]pyrimidine
CID 198995
4-(Pyrimidin-2-yloxy)aniline
CID 1484610
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 30
CID 5330216
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 57
CID 5330243
(2S)-2-{[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648341
(2S)-2-{[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648342
6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975
2-[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005989
4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 44433472

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 3221265) is N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(c3ncccn3)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is HBYDRUIVLZFKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-15-7-5-14(6-8-15)20-16(22)13-4-2-11-21(12-13)17-18-9-3-10-19-17/h3,5-10,13H,2,4,11-12H2,1H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 3221265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).