N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C23H30N4O2 — CID 167754397

IUPACN-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCc1cccc(OC2CCCCC2NC(=O)C2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C23H30N4O2/c1-17-7-4-9-19(15-17)29-21-11-3-2-10-20(21)26-22(28)18-8-5-14-27(16-18)23-24-12-6-13-25-23/h4,6-7,9,12-13,15,18,20-21H,2-3,5,8,10-11,14,16H2,1H3,(H,26,28)
InChIKeyOFEMQCQSJVIPAV-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.51
Rot. Bonds5

About N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 167754397) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID167754397
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCc1cccc(OC2CCCCC2NC(=O)C2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C23H30N4O2/c1-17-7-4-9-19(15-17)29-21-11-3-2-10-20(21)26-22(28)18-8-5-14-27(16-18)23-24-12-6-13-25-23/h4,6-7,9,12-13,15,18,20-21H,2-3,5,8,10-11,14,16H2,1H3,(H,26,28)
InChIKeyOFEMQCQSJVIPAV-UHFFFAOYSA-N
XLogP3.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435438
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
(3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 124765449
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
(3S)-N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 100700324
N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 119036191
N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221264
(3R)-N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452473
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 7435428

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 167754397) is N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is Cc1cccc(OC2CCCCC2NC(=O)C2CCCN(c3ncccn3)C2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is OFEMQCQSJVIPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-7-4-9-19(15-17)29-21-11-3-2-10-20(21)26-22(28)18-8-5-14-27(16-18)23-24-12-6-13-25-23/h4,6-7,9,12-13,15,18,20-21H,2-3,5,8,10-11,14,16H2,1H3,(H,26,28).
What are the key properties of N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 167754397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).