1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide

C24H27N5O2 — CID 167910233

IUPAC1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cccc(NC(=O)c3cc(Cc4ccccc4)[nH]n3)c2)C1
InChIInChI=1S/C24H27N5O2/c25-23(30)19-9-5-11-29(16-19)15-18-8-4-10-20(13-18)26-24(31)22-14-21(27-28-22)12-17-6-2-1-3-7-17/h1-4,6-8,10,13-14,19H,5,9,11-12,15-16H2,(H2,25,30)(H,26,31)(H,27,28)
InChIKeyAKQOHYMTWFQFNI-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.95
Rot. Bonds7

About 1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide

1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 167910233) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID167910233
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cccc(NC(=O)c3cc(Cc4ccccc4)[nH]n3)c2)C1
InChIInChI=1S/C24H27N5O2/c25-23(30)19-9-5-11-29(16-19)15-18-8-4-10-20(13-18)26-24(31)22-14-21(27-28-22)12-17-6-2-1-3-7-17/h1-4,6-8,10,13-14,19H,5,9,11-12,15-16H2,(H2,25,30)(H,26,31)(H,27,28)
InChIKeyAKQOHYMTWFQFNI-UHFFFAOYSA-N
XLogP2.95
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 131935611
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
1-benzyl-N-(5-ethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 48508171
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
1-[[3-[[3-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 166190550
1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119438547
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506879
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506760

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide (CID 167910233) is 1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2cccc(NC(=O)c3cc(Cc4ccccc4)[nH]n3)c2)C1.
What is the InChIKey of 1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is AKQOHYMTWFQFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c25-23(30)19-9-5-11-29(16-19)15-18-8-4-10-20(13-18)26-24(31)22-14-21(27-28-22)12-17-6-2-1-3-7-17/h1-4,6-8,10,13-14,19H,5,9,11-12,15-16H2,(H2,25,30)(H,26,31)(H,27,28).
What are the key properties of 1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(5-benzyl-1H-pyrazole-3-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 167910233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).