N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide

C18H24N2O4 — CID 171913395

IUPACN-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(C3CCOC3=O)CC2)cc1
InChIInChI=1S/C18H24N2O4/c1-23-15-4-2-13(3-5-15)12-19-17(21)14-6-9-20(10-7-14)16-8-11-24-18(16)22/h2-5,14,16H,6-12H2,1H3,(H,19,21)
InChIKeyJRCBUWARFVWESJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.34
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide

N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide (PubChem CID 171913395) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide
PubChem CID171913395
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(C3CCOC3=O)CC2)cc1
InChIInChI=1S/C18H24N2O4/c1-23-15-4-2-13(3-5-15)12-19-17(21)14-6-9-20(10-7-14)16-8-11-24-18(16)22/h2-5,14,16H,6-12H2,1H3,(H,19,21)
InChIKeyJRCBUWARFVWESJ-UHFFFAOYSA-N
XLogP1.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dioxolan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 171907624
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
CID 10882206
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163
N-[(6-methoxynaphthalen-2-yl)methyl]oxane-4-carboxamide
CID 30307912
1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309414
2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 134698273
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
1-(cyclopropanecarbonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 46692059
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625
N-[(4-methoxyphenyl)methyl]-4-[[(2-morpholin-4-yl-3,4-dioxocyclobuten-1-yl)amino]methyl]cyclohexane-1-carboxamide
CID 11957217
N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide (CID 171913395) is N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(C3CCOC3=O)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide?
The InChIKey is JRCBUWARFVWESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-23-15-4-2-13(3-5-15)12-19-17(21)14-6-9-20(10-7-14)16-8-11-24-18(16)22/h2-5,14,16H,6-12H2,1H3,(H,19,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 171913395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).