N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide

C23H32N4O — CID 42592717

IUPACN-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(N[C@@H]1CCCN(CC2CCCCC2)C1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C23H32N4O/c28-23(21-10-4-9-20(15-21)17-27-14-6-12-24-27)25-22-11-5-13-26(18-22)16-19-7-2-1-3-8-19/h4,6,9-10,12,14-15,19,22H,1-3,5,7-8,11,13,16-18H2,(H,25,28)/t22-/m1/s1
InChIKeyOHQDAQPWRIMVNO-JOCHJYFZSA-N
MW380.54 g/mol
LogP3.71
Rot. Bonds6

About N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide

N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 42592717) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID42592717
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(N[C@@H]1CCCN(CC2CCCCC2)C1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C23H32N4O/c28-23(21-10-4-9-20(15-21)17-27-14-6-12-24-27)25-22-11-5-13-26(18-22)16-19-7-2-1-3-8-19/h4,6,9-10,12,14-15,19,22H,1-3,5,7-8,11,13,16-18H2,(H,25,28)/t22-/m1/s1
InChIKeyOHQDAQPWRIMVNO-JOCHJYFZSA-N
XLogP3.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide
CID 25448585
N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 92608066
N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70748260
N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993172
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 97282581
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide
CID 26407655
N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide
CID 125178153
N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 125168473
2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]-N-methylpyridine-4-carboxamide
CID 70707861
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 95603844
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 97137368

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide (CID 42592717) is N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide is O=C(N[C@@H]1CCCN(CC2CCCCC2)C1)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is OHQDAQPWRIMVNO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H32N4O/c28-23(21-10-4-9-20(15-21)17-27-14-6-12-24-27)25-22-11-5-13-26(18-22)16-19-7-2-1-3-8-19/h4,6,9-10,12,14-15,19,22H,1-3,5,7-8,11,13,16-18H2,(H,25,28)/t22-/m1/s1.
What are the key properties of N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide?
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 380.54 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 42592717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).