N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide

C21H30N4O2 — CID 45187769

IUPACN-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC2CCCN(Cc3cccc(OC)c3)C2)c1C
InChIInChI=1S/C21H30N4O2/c1-4-10-25-16(2)20(13-22-25)21(26)23-18-8-6-11-24(15-18)14-17-7-5-9-19(12-17)27-3/h5,7,9,12-13,18H,4,6,8,10-11,14-15H2,1-3H3,(H,23,26)
InChIKeyZMDVHTOLMZQLLC-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.00
Rot. Bonds7

About N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide

N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 45187769) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide
PubChem CID45187769
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC2CCCN(Cc3cccc(OC)c3)C2)c1C
InChIInChI=1S/C21H30N4O2/c1-4-10-25-16(2)20(13-22-25)21(26)23-18-8-6-11-24(15-18)14-17-7-5-9-19(12-17)27-3/h5,7,9,12-13,18H,4,6,8,10-11,14-15H2,1-3H3,(H,23,26)
InChIKeyZMDVHTOLMZQLLC-UHFFFAOYSA-N
XLogP3.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 25374475
N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide
CID 146042653
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56902955
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 45210664
1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
CID 134802563
methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate
CID 70730726
N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 125168473
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
CID 25325208
N-[1-[(3-cyanophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933813
N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 110228739

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide (CID 45187769) is N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NC2CCCN(Cc3cccc(OC)c3)C2)c1C.
What is the InChIKey of N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is ZMDVHTOLMZQLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-4-10-25-16(2)20(13-22-25)21(26)23-18-8-6-11-24(15-18)14-17-7-5-9-19(12-17)27-3/h5,7,9,12-13,18H,4,6,8,10-11,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide?
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 45187769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).