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

C19H25N5O2 — CID 120924327

IUPACN-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1
InChIInChI=1S/C19H25N5O2/c1-2-5-17(25)22-15-6-3-7-16(14-15)23-18(26)19(8-11-20-12-9-19)24-13-4-10-21-24/h3-4,6-7,10,13-14,20H,2,5,8-9,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyWIYARMIAEHDOQK-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.34
Rot. Bonds6

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

N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120924327) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120924327
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCCC(=O)Nc1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1
InChIInChI=1S/C19H25N5O2/c1-2-5-17(25)22-15-6-3-7-16(14-15)23-18(26)19(8-11-20-12-9-19)24-13-4-10-21-24/h3-4,6-7,10,13-14,20H,2,5,8-9,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyWIYARMIAEHDOQK-UHFFFAOYSA-N
XLogP2.34
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923034
N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918876
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
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
N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936580
methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate
CID 120922883
N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918139
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
N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939586
N-(4-ethoxy-3-methoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919245

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120924327) is N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CCCC(=O)Nc1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1.
What is the InChIKey of N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is WIYARMIAEHDOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-2-5-17(25)22-15-6-3-7-16(14-15)23-18(26)19(8-11-20-12-9-19)24-13-4-10-21-24/h3-4,6-7,10,13-14,20H,2,5,8-9,11-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120924327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).