N-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C15H25ClN4O2 — CID 120936564

IUPACN-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCN(CC1CCOC1)C(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C15H24N4O2.ClH/c1-18(11-13-3-10-21-12-13)14(20)15(4-7-16-8-5-15)19-9-2-6-17-19;/h2,6,9,13,16H,3-5,7-8,10-12H2,1H3;1H
InChIKeyVVWAQYBKXWPSAI-UHFFFAOYSA-N
MW328.84 g/mol
LogP0.88
Rot. Bonds4

About N-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120936564) has the molecular formula C15H25ClN4O2 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120936564
Molecular FormulaC15H25ClN4O2
Molecular Weight328.84 g/mol
Exact Mass328.17
IUPAC NameN-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCN(CC1CCOC1)C(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C15H24N4O2.ClH/c1-18(11-13-3-10-21-12-13)14(20)15(4-7-16-8-5-15)19-9-2-6-17-19;/h2,6,9,13,16H,3-5,7-8,10-12H2,1H3;1H
InChIKeyVVWAQYBKXWPSAI-UHFFFAOYSA-N
XLogP0.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926211
N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917135
N-cyclopentyl-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920310
N-cyclohexyl-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120916893
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931021
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936185
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937037
N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918675
N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918668
N-(cyclopropylmethyl)-4-pyrazol-1-yl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide;hydrochloride
CID 120937262
N,N-dimethyl-1-[2-(oxan-4-yl)acetyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155873079
N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918265

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120936564) is N-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CN(CC1CCOC1)C(=O)C1(n2cccn2)CCNCC1.Cl.
What is the InChIKey of N-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is VVWAQYBKXWPSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.ClH/c1-18(11-13-3-10-21-12-13)14(20)15(4-7-16-8-5-15)19-9-2-6-17-19;/h2,6,9,13,16H,3-5,7-8,10-12H2,1H3;1H.
What are the key properties of N-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120936564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).