4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide

C23H29N3O2 — CID 72878185

IUPAC4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)N1CCN([C@H]2CCCC[C@@H]2O)CC1
InChIInChI=1S/C23H29N3O2/c27-22-12-5-4-11-21(22)25-13-15-26(16-14-25)23(28)24-20-10-6-9-19(17-20)18-7-2-1-3-8-18/h1-3,6-10,17,21-22,27H,4-5,11-16H2,(H,24,28)/t21-,22-/m0/s1
InChIKeyYXSUDDWKVQIBTA-VXKWHMMOSA-N
MW379.50 g/mol
LogP3.81
Rot. Bonds3

About 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide

4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide (PubChem CID 72878185) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide
PubChem CID72878185
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)N1CCN([C@H]2CCCC[C@@H]2O)CC1
InChIInChI=1S/C23H29N3O2/c27-22-12-5-4-11-21(22)25-13-15-26(16-14-25)23(28)24-20-10-6-9-19(17-20)18-7-2-1-3-8-18/h1-3,6-10,17,21-22,27H,4-5,11-16H2,(H,24,28)/t21-,22-/m0/s1
InChIKeyYXSUDDWKVQIBTA-VXKWHMMOSA-N
XLogP3.81
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide
CID 133115452
4-[(1S,2R)-2-hydroxycyclopentyl]-N-(4-methyl-3-nitrophenyl)piperazine-1-carboxamide
CID 95151678
N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 72931917
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
CID 55819910
1-N-(3-phenylphenyl)-4-N,4-N-di(piperazin-2-yl)piperazine-1,4-dicarboxamide
CID 72700058
(3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide
CID 118767375
N-[3-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166408784
3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide
CID 44555474
methyl 3-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104448
N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide
CID 95299451
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide (CID 72878185) is 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide is O=C(Nc1cccc(-c2ccccc2)c1)N1CCN([C@H]2CCCC[C@@H]2O)CC1.
What is the InChIKey of 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide?
The InChIKey is YXSUDDWKVQIBTA-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-22-12-5-4-11-21(22)25-13-15-26(16-14-25)23(28)24-20-10-6-9-19(17-20)18-7-2-1-3-8-18/h1-3,6-10,17,21-22,27H,4-5,11-16H2,(H,24,28)/t21-,22-/m0/s1.
What are the key properties of 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide?
4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-hydroxycyclohexyl]-N-(3-phenylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 72878185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).