N-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide

C23H30N4O2 — CID 94215798

IUPACN-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1
InChIInChI=1S/C23H30N4O2/c1-17-7-5-6-10-20(17)26-23(28)18-11-13-27(14-12-18)21-15-22(25-16-24-21)29-19-8-3-2-4-9-19/h2-4,8-9,15-18,20H,5-7,10-14H2,1H3,(H,26,28)/t17-,20+/m0/s1
InChIKeyFFLZNKRMRXFLSD-FXAWDEMLSA-N
MW394.52 g/mol
LogP4.18
Rot. Bonds5

About N-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide

N-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 94215798) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID94215798
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1
InChIInChI=1S/C23H30N4O2/c1-17-7-5-6-10-20(17)26-23(28)18-11-13-27(14-12-18)21-15-22(25-16-24-21)29-19-8-3-2-4-9-19/h2-4,8-9,15-18,20H,5-7,10-14H2,1H3,(H,26,28)/t17-,20+/m0/s1
InChIKeyFFLZNKRMRXFLSD-FXAWDEMLSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 163345372
N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 124892017
1-(4,6-dimethylpyrimidin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 7435402
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 90519570
ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42806339
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9272845
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
ethyl 1-[6-(3-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42872770
N-[(1S,2R)-2-methylcyclohexyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 42160508
1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 53367115
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methylcyclohexyl)azetidine-3-carboxamide
CID 122160300
N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51642051

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide (CID 94215798) is N-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide is C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is FFLZNKRMRXFLSD-FXAWDEMLSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-7-5-6-10-20(17)26-23(28)18-11-13-27(14-12-18)21-15-22(25-16-24-21)29-19-8-3-2-4-9-19/h2-4,8-9,15-18,20H,5-7,10-14H2,1H3,(H,26,28)/t17-,20+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide?
N-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 94215798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).