N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide

C25H28N4O2 — CID 55631067

IUPACN-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C25H28N4O2/c30-24(12-11-20-7-3-1-4-8-20)28-17-14-22(15-18-28)25(31)27-23-13-16-26-29(23)19-21-9-5-2-6-10-21/h1-10,13,16,22H,11-12,14-15,17-19H2,(H,27,31)
InChIKeyPTZQIGPBXKOQRL-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.74
Rot. Bonds7

About N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide

N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 55631067) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID55631067
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C25H28N4O2/c30-24(12-11-20-7-3-1-4-8-20)28-17-14-22(15-18-28)25(31)27-23-13-16-26-29(23)19-21-9-5-2-6-10-21/h1-10,13,16,22H,11-12,14-15,17-19H2,(H,27,31)
InChIKeyPTZQIGPBXKOQRL-UHFFFAOYSA-N
XLogP3.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride
CID 154903028
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 119514987
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 78845819
2-[2-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242488
ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate
CID 46411072

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 55631067) is N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide is O=C(Nc1ccnn1Cc1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is PTZQIGPBXKOQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-24(12-11-20-7-3-1-4-8-20)28-17-14-22(15-18-28)25(31)27-23-13-16-26-29(23)19-21-9-5-2-6-10-21/h1-10,13,16,22H,11-12,14-15,17-19H2,(H,27,31).
What are the key properties of N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55631067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).