N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride

C22H33ClN4O — CID 119736663

IUPACN-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1)C1CCCNC1.Cl
InChIInChI=1S/C22H32N4O.ClH/c1-17(19-10-6-12-23-16-19)14-22(27)26(2)13-7-11-20-15-21(25-24-20)18-8-4-3-5-9-18;/h3-5,8-9,15,17,19,23H,6-7,10-14,16H2,1-2H3,(H,24,25);1H
InChIKeyDFQVTRDBRMVNNE-UHFFFAOYSA-N
MW404.99 g/mol
LogP3.92
Rot. Bonds8

About N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119736663) has the molecular formula C22H33ClN4O and a molecular weight of 404.99 g/mol. Its IUPAC name is N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119736663
Molecular FormulaC22H33ClN4O
Molecular Weight404.99 g/mol
Exact Mass404.23
IUPAC NameN-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1)C1CCCNC1.Cl
InChIInChI=1S/C22H32N4O.ClH/c1-17(19-10-6-12-23-16-19)14-22(27)26(2)13-7-11-20-15-21(25-24-20)18-8-4-3-5-9-18;/h3-5,8-9,15,17,19,23H,6-7,10-14,16H2,1-2H3,(H,24,25);1H
InChIKeyDFQVTRDBRMVNNE-UHFFFAOYSA-N
XLogP3.92
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.99
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide
CID 119737107
N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119731938
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119821443
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide
CID 119821444
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119820817
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119746195
2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 120788646
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride
CID 119296837
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpiperidine-3-carboxamide
CID 119301819

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119736663) is N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1)C1CCCNC1.Cl.
What is the InChIKey of N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is DFQVTRDBRMVNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O.ClH/c1-17(19-10-6-12-23-16-19)14-22(27)26(2)13-7-11-20-15-21(25-24-20)18-8-4-3-5-9-18;/h3-5,8-9,15,17,19,23H,6-7,10-14,16H2,1-2H3,(H,24,25);1H.
What are the key properties of N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 404.99 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119736663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).