N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride

C13H23ClN4O — CID 119299043

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1nn(C)cc1C(C)NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9(12-8-17(3)16-10(12)2)15-13(18)11-5-4-6-14-7-11;/h8-9,11,14H,4-7H2,1-3H3,(H,15,18);1H
InChIKeyBCLBPIVDQNYTMM-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.33
Rot. Bonds3

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119299043) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119299043
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1nn(C)cc1C(C)NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9(12-8-17(3)16-10(12)2)15-13(18)11-5-4-6-14-7-11;/h8-9,11,14H,4-7H2,1-3H3,(H,15,18);1H
InChIKeyBCLBPIVDQNYTMM-UHFFFAOYSA-N
XLogP1.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 102805576
3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119741055
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 112669514
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
CID 43706301
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide
CID 175719155
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 43703387

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride (CID 119299043) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride is Cc1nn(C)cc1C(C)NC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is BCLBPIVDQNYTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-9(12-8-17(3)16-10(12)2)15-13(18)11-5-4-6-14-7-11;/h8-9,11,14H,4-7H2,1-3H3,(H,15,18);1H.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119299043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).