N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C20H27N5O2 — CID 120918876

IUPACN-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1
InChIInChI=1S/C20H27N5O2/c1-3-24(4-2)18(26)16-7-5-8-17(15-16)23-19(27)20(9-12-21-13-10-20)25-14-6-11-22-25/h5-8,11,14-15,21H,3-4,9-10,12-13H2,1-2H3,(H,23,27)
InChIKeyYJTZRGRSBCKOEH-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.08
Rot. Bonds6

About N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120918876) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120918876
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1
InChIInChI=1S/C20H27N5O2/c1-3-24(4-2)18(26)16-7-5-8-17(15-16)23-19(27)20(9-12-21-13-10-20)25-14-6-11-22-25/h5-8,11,14-15,21H,3-4,9-10,12-13H2,1-2H3,(H,23,27)
InChIKeyYJTZRGRSBCKOEH-UHFFFAOYSA-N
XLogP2.08
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
N-[3-(diethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617800
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923034
4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide
CID 120929070
dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 120917447
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride
CID 120934173
methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate
CID 120922883
4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 120939642
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120918876) is N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is YJTZRGRSBCKOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-24(4-2)18(26)16-7-5-8-17(15-16)23-19(27)20(9-12-21-13-10-20)25-14-6-11-22-25/h5-8,11,14-15,21H,3-4,9-10,12-13H2,1-2H3,(H,23,27).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120918876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).