2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide

C22H30N4O — CID 99756157

IUPAC2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
SMILESO=C(CC1CCCCC1)N[C@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1
InChIInChI=1S/C22H30N4O/c27-22(14-17-8-3-1-4-9-17)23-19-12-7-13-26(16-19)21-15-20(24-25-21)18-10-5-2-6-11-18/h2,5-6,10-11,15,17,19H,1,3-4,7-9,12-14,16H2,(H,23,27)(H,24,25)/t19-/m0/s1
InChIKeyXVHOTIMOEWWKQD-IBGZPJMESA-N
MW366.51 g/mol
LogP4.13
Rot. Bonds5

About 2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide

2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide (PubChem CID 99756157) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
PubChem CID99756157
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
SMILESO=C(CC1CCCCC1)N[C@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1
InChIInChI=1S/C22H30N4O/c27-22(14-17-8-3-1-4-9-17)23-19-12-7-13-26(16-19)21-15-20(24-25-21)18-10-5-2-6-11-18/h2,5-6,10-11,15,17,19H,1,3-4,7-9,12-14,16H2,(H,23,27)(H,24,25)/t19-/m0/s1
InChIKeyXVHOTIMOEWWKQD-IBGZPJMESA-N
XLogP4.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756596
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 91887783
2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99740846
2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99740798
N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 99756595
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide
CID 91914548
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
CID 99740951
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 91904766
3-bromo-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740851
2,5-difluoro-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740772
1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea
CID 53181782
3-fluoro-4-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740769

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide (CID 99756157) is 2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide is O=C(CC1CCCCC1)N[C@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1.
What is the InChIKey of 2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
The InChIKey is XVHOTIMOEWWKQD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N4O/c27-22(14-17-8-3-1-4-9-17)23-19-12-7-13-26(16-19)21-15-20(24-25-21)18-10-5-2-6-11-18/h2,5-6,10-11,15,17,19H,1,3-4,7-9,12-14,16H2,(H,23,27)(H,24,25)/t19-/m0/s1.
What are the key properties of 2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 99756157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).