1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

C22H32N4O2 — CID 119046468

IUPAC1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCC(CCN1CCC(CNC(=O)c2cnn(C)c2)CC1)OCc1ccccc1
InChIInChI=1S/C22H32N4O2/c1-18(28-17-20-6-4-3-5-7-20)8-11-26-12-9-19(10-13-26)14-23-22(27)21-15-24-25(2)16-21/h3-7,15-16,18-19H,8-14,17H2,1-2H3,(H,23,27)
InChIKeyNMHSTOKTHAKNOA-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.86
Rot. Bonds9

About 1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 119046468) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID119046468
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCC(CCN1CCC(CNC(=O)c2cnn(C)c2)CC1)OCc1ccccc1
InChIInChI=1S/C22H32N4O2/c1-18(28-17-20-6-4-3-5-7-20)8-11-26-12-9-19(10-13-26)14-23-22(27)21-15-24-25(2)16-21/h3-7,15-16,18-19H,8-14,17H2,1-2H3,(H,23,27)
InChIKeyNMHSTOKTHAKNOA-UHFFFAOYSA-N
XLogP2.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119312989
N-[[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119046469
N-[[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119950991
N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119048678
N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119312997
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 71879030
N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119312996
tert-butyl 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 60618226
N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 52845992
N-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide
CID 58933661
N-[[1-[5-(cyclopropylmethyl)-4-ethyl-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 154756122
cyclobutyloxymethylbenzene;1-methylpyrazole-4-carboxylic acid
CID 169144832

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 119046468) is 1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is CC(CCN1CCC(CNC(=O)c2cnn(C)c2)CC1)OCc1ccccc1.
What is the InChIKey of 1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is NMHSTOKTHAKNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-18(28-17-20-6-4-3-5-7-20)8-11-26-12-9-19(10-13-26)14-23-22(27)21-15-24-25(2)16-21/h3-7,15-16,18-19H,8-14,17H2,1-2H3,(H,23,27).
What are the key properties of 1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-(3-phenylmethoxybutyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 119046468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).