N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

C22H30N4O — CID 7435408

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCC[C@H](C)c1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1
InChIInChI=1S/C22H30N4O/c1-5-15(2)18-6-8-20(9-7-18)25-21(27)19-10-12-26(13-11-19)22-23-16(3)14-17(4)24-22/h6-9,14-15,19H,5,10-13H2,1-4H3,(H,25,27)/t15-/m0/s1
InChIKeyUJODXHLRXZOHCC-HNNXBMFYSA-N
MW366.51 g/mol
LogP4.46
Rot. Bonds5

About N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 7435408) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID7435408
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCC[C@H](C)c1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1
InChIInChI=1S/C22H30N4O/c1-5-15(2)18-6-8-20(9-7-18)25-21(27)19-10-12-26(13-11-19)22-23-16(3)14-17(4)24-22/h6-9,14-15,19H,5,10-13H2,1-4H3,(H,25,27)/t15-/m0/s1
InChIKeyUJODXHLRXZOHCC-HNNXBMFYSA-N
XLogP4.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 108805731
[4-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]phenyl] thiocyanate
CID 108793930
4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 94858106
N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 648454
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 108741161
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 108805765
1-(4,6-dimethylpyrimidin-2-yl)-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 108793916
(3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7206249
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3224330
N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 17223318
1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 653435

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (CID 7435408) is N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is CC[C@H](C)c1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is UJODXHLRXZOHCC-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-5-15(2)18-6-8-20(9-7-18)25-21(27)19-10-12-26(13-11-19)22-23-16(3)14-17(4)24-22/h6-9,14-15,19H,5,10-13H2,1-4H3,(H,25,27)/t15-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 7435408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).