N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide

C24H38F2N6O — CID 156745882

IUPACN-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide
SMILESCc1cnc(C2CCN(C(=O)N[C@@H]3[C@@H](N4CCN(C(C)C)CC4)CCCC3(F)F)CC2)nc1
InChIInChI=1S/C24H38F2N6O/c1-17(2)30-11-13-31(14-12-30)20-5-4-8-24(25,26)21(20)29-23(33)32-9-6-19(7-10-32)22-27-15-18(3)16-28-22/h15-17,19-21H,4-14H2,1-3H3,(H,29,33)/t20-,21+/m0/s1
InChIKeyIABDESWMKPVQCQ-LEWJYISDSA-N
MW464.61 g/mol
LogP3.26
Rot. Bonds4

About N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide

N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide (PubChem CID 156745882) has the molecular formula C24H38F2N6O and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide
PubChem CID156745882
Molecular FormulaC24H38F2N6O
Molecular Weight464.61 g/mol
Exact Mass464.31
IUPAC NameN-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide
SMILESCc1cnc(C2CCN(C(=O)N[C@@H]3[C@@H](N4CCN(C(C)C)CC4)CCCC3(F)F)CC2)nc1
InChIInChI=1S/C24H38F2N6O/c1-17(2)30-11-13-31(14-12-30)20-5-4-8-24(25,26)21(20)29-23(33)32-9-6-19(7-10-32)22-27-15-18(3)16-28-22/h15-17,19-21H,4-14H2,1-3H3,(H,29,33)/t20-,21+/m0/s1
InChIKeyIABDESWMKPVQCQ-LEWJYISDSA-N
XLogP3.26
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

US11033539, Cpd. No. 6-39
CID 162370264
US11033539, Cpd. No. 21-1
CID 129124839
US11033539, Cpd. No. 21-8
CID 162146805
US11033539, Cpd. No. 6-58
CID 162370282
US11033539, Cpd. No. 21-5
CID 162370378
US11033539, Cpd. No. 21-6
CID 162370379
US11033539, Cpd. No. 21-7
CID 162370380
(2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide
CID 164633045
N-(2-ethylpyrimidin-5-yl)-4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-1-carboxamide
CID 164636438
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-fluoro-5-(trifluoromethyl)pyrimidine-2-carboxamide
CID 22243289
4-(2,2-difluoroethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperazine-1-carboxamide
CID 49123245
1-[4-[5-[2-Amino-1-(4,4-difluoropiperidin-1-yl)ethyl]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 58228454

Frequently Asked Questions

What is the IUPAC name of N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide (CID 156745882) is N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide is Cc1cnc(C2CCN(C(=O)N[C@@H]3[C@@H](N4CCN(C(C)C)CC4)CCCC3(F)F)CC2)nc1.
What is the InChIKey of N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide?
The InChIKey is IABDESWMKPVQCQ-LEWJYISDSA-N. The full InChI is InChI=1S/C24H38F2N6O/c1-17(2)30-11-13-31(14-12-30)20-5-4-8-24(25,26)21(20)29-23(33)32-9-6-19(7-10-32)22-27-15-18(3)16-28-22/h15-17,19-21H,4-14H2,1-3H3,(H,29,33)/t20-,21+/m0/s1.
What are the key properties of N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide?
N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide has a molecular weight of 464.61 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-4-(5-methylpyrimidin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 156745882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).