N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide

C25H30N4O2 — CID 86902398

IUPACN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)N3CCC(OCc4ccccc4)CC3)c2)n1
InChIInChI=1S/C25H30N4O2/c1-19-15-20(2)29(27-19)17-22-9-6-10-23(16-22)26-25(30)28-13-11-24(12-14-28)31-18-21-7-4-3-5-8-21/h3-10,15-16,24H,11-14,17-18H2,1-2H3,(H,26,30)
InChIKeyBQZVMNDSAUKLQD-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.76
Rot. Bonds6

About N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide

N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide (PubChem CID 86902398) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide
PubChem CID86902398
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)N3CCC(OCc4ccccc4)CC3)c2)n1
InChIInChI=1S/C25H30N4O2/c1-19-15-20(2)29(27-19)17-22-9-6-10-23(16-22)26-25(30)28-13-11-24(12-14-28)31-18-21-7-4-3-5-8-21/h3-10,15-16,24H,11-14,17-18H2,1-2H3,(H,26,30)
InChIKeyBQZVMNDSAUKLQD-UHFFFAOYSA-N
XLogP4.76
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86902355
2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide
CID 86902376
trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 95617250
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 118764730
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 86902514
1-cyclopropyl-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-(2-hydroxyethyl)urea
CID 111110138
(1R,2S,3S,4R)-3-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99773966
(1R,2R,3S,4R)-3-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124864826
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide
CID 146087761
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474017
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645620

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide?
The IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide (CID 86902398) is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide?
The canonical SMILES for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide is Cc1cc(C)n(Cc2cccc(NC(=O)N3CCC(OCc4ccccc4)CC3)c2)n1.
What is the InChIKey of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide?
The InChIKey is BQZVMNDSAUKLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-19-15-20(2)29(27-19)17-22-9-6-10-23(16-22)26-25(30)28-13-11-24(12-14-28)31-18-21-7-4-3-5-8-21/h3-10,15-16,24H,11-14,17-18H2,1-2H3,(H,26,30).
What are the key properties of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide?
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide is sourced from PubChem (CID 86902398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).