N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride

C17H23ClN4O — CID 119338096

IUPACN-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCNC1)c1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-13(20-17(22)15-4-2-9-18-12-15)14-5-7-16(8-6-14)21-11-3-10-19-21;/h3,5-8,10-11,13,15,18H,2,4,9,12H2,1H3,(H,20,22);1H
InChIKeyXZOWPHCBOVEFTC-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.47
Rot. Bonds4

About N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride

N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119338096) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119338096
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC NameN-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCNC1)c1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-13(20-17(22)15-4-2-9-18-12-15)14-5-7-16(8-6-14)21-11-3-10-19-21;/h3,5-8,10-11,13,15,18H,2,4,9,12H2,1H3,(H,20,22);1H
InChIKeyXZOWPHCBOVEFTC-UHFFFAOYSA-N
XLogP2.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 119271899
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
(2S,4S)-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636935
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571
N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide
CID 175719155

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride (CID 119338096) is N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride is CC(NC(=O)C1CCCNC1)c1ccc(-n2cccn2)cc1.Cl.
What is the InChIKey of N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is XZOWPHCBOVEFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-13(20-17(22)15-4-2-9-18-12-15)14-5-7-16(8-6-14)21-11-3-10-19-21;/h3,5-8,10-11,13,15,18H,2,4,9,12H2,1H3,(H,20,22);1H.
What are the key properties of N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119338096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).