N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide

C17H20N4O2 — CID 122257519

IUPACN-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(Oc3ncccn3)C2)cc1
InChIInChI=1S/C17H20N4O2/c1-13-5-7-14(8-6-13)20-17(22)21-11-2-4-15(12-21)23-16-18-9-3-10-19-16/h3,5-10,15H,2,4,11-12H2,1H3,(H,20,22)
InChIKeyIHCZQMJTFVPKMT-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.86
Rot. Bonds3

About N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide

N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide (PubChem CID 122257519) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
PubChem CID122257519
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(Oc3ncccn3)C2)cc1
InChIInChI=1S/C17H20N4O2/c1-13-5-7-14(8-6-13)20-17(22)21-11-2-4-15(12-21)23-16-18-9-3-10-19-16/h3,5-10,15H,2,4,11-12H2,1H3,(H,20,22)
InChIKeyIHCZQMJTFVPKMT-UHFFFAOYSA-N
XLogP2.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide 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

N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523
N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257527
N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258569
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
N-[4-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267743
methyl 4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)benzoate
CID 122160936
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122258090
3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 122259079
N-(3,4-dimethylphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267729
(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93223987
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257244

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide (CID 122257519) is N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC(Oc3ncccn3)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide?
The InChIKey is IHCZQMJTFVPKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-5-7-14(8-6-13)20-17(22)21-11-2-4-15(12-21)23-16-18-9-3-10-19-16/h3,5-10,15H,2,4,11-12H2,1H3,(H,20,22).
What are the key properties of N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide?
N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 122257519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).