1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C20H28N4O2 — CID 131907063

IUPAC1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCn1ccc(CN2CCC(C(=O)NCc3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C20H28N4O2/c1-3-24-13-10-18(22-24)15-23-11-8-17(9-12-23)20(25)21-14-16-4-6-19(26-2)7-5-16/h4-7,10,13,17H,3,8-9,11-12,14-15H2,1-2H3,(H,21,25)
InChIKeyYIYPQBJGYBPGMH-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.44
Rot. Bonds7

About 1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 131907063) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID131907063
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCn1ccc(CN2CCC(C(=O)NCc3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C20H28N4O2/c1-3-24-13-10-18(22-24)15-23-11-8-17(9-12-23)20(25)21-14-16-4-6-19(26-2)7-5-16/h4-7,10,13,17H,3,8-9,11-12,14-15H2,1-2H3,(H,21,25)
InChIKeyYIYPQBJGYBPGMH-UHFFFAOYSA-N
XLogP2.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 25246790
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
CID 10882206
1-(1,3-dioxolan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 171907624
N-[(4-methoxyphenyl)methyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 4551423
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917834
N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070
1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid
CID 2903427
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
N-[(3-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284778
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 7316736
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 131907063) is 1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is CCn1ccc(CN2CCC(C(=O)NCc3ccc(OC)cc3)CC2)n1.
What is the InChIKey of 1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YIYPQBJGYBPGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-24-13-10-18(22-24)15-23-11-8-17(9-12-23)20(25)21-14-16-4-6-19(26-2)7-5-16/h4-7,10,13,17H,3,8-9,11-12,14-15H2,1-2H3,(H,21,25).
What are the key properties of 1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 131907063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).