3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide

C20H28N4O — CID 119788718

IUPAC3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C20H28N4O/c1-15(18-7-4-9-21-14-18)12-20(25)23-16(2)17-6-3-8-19(13-17)24-11-5-10-22-24/h3,5-6,8,10-11,13,15-16,18,21H,4,7,9,12,14H2,1-2H3,(H,23,25)
InChIKeyGQXATYQFHWDFBM-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.08
Rot. Bonds6

About 3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide

3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide (PubChem CID 119788718) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
PubChem CID119788718
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C20H28N4O/c1-15(18-7-4-9-21-14-18)12-20(25)23-16(2)17-6-3-8-19(13-17)24-11-5-10-22-24/h3,5-6,8,10-11,13,15-16,18,21H,4,7,9,12,14H2,1-2H3,(H,23,25)
InChIKeyGQXATYQFHWDFBM-UHFFFAOYSA-N
XLogP3.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride
CID 119900427
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119699863
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119694049
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119788735

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide?
The IUPAC name of 3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide (CID 119788718) is 3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide?
The canonical SMILES for 3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide is CC(NC(=O)CC(C)C1CCCNC1)c1cccc(-n2cccn2)c1.
What is the InChIKey of 3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide?
The InChIKey is GQXATYQFHWDFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15(18-7-4-9-21-14-18)12-20(25)23-16(2)17-6-3-8-19(13-17)24-11-5-10-22-24/h3,5-6,8,10-11,13,15-16,18,21H,4,7,9,12,14H2,1-2H3,(H,23,25).
What are the key properties of 3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide?
3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide has a molecular weight of 340.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 119788718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).