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

C19H28N2O3 — CID 46963470

IUPAC1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide
SMILESCOc1ccccc1CN1CCC(C(=O)NC2CCCOC2)CC1
InChIInChI=1S/C19H28N2O3/c1-23-18-7-3-2-5-16(18)13-21-10-8-15(9-11-21)19(22)20-17-6-4-12-24-14-17/h2-3,5,7,15,17H,4,6,8-14H2,1H3,(H,20,22)
InChIKeyCDLGZQIADKBKGL-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.20
Rot. Bonds5

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

1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide (PubChem CID 46963470) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide
PubChem CID46963470
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide
SMILESCOc1ccccc1CN1CCC(C(=O)NC2CCCOC2)CC1
InChIInChI=1S/C19H28N2O3/c1-23-18-7-3-2-5-16(18)13-21-10-8-15(9-11-21)19(22)20-17-6-4-12-24-14-17/h2-3,5,7,15,17H,4,6,8-14H2,1H3,(H,20,22)
InChIKeyCDLGZQIADKBKGL-UHFFFAOYSA-N
XLogP2.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 72705225
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1343432
N-(1-hydroxy-2-methylpropan-2-yl)-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 51362417
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
1-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1096579
N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860877
4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146102
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 30137323
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide
CID 55979610
1-[(2-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163328027
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 110226611

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide (CID 46963470) is 1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide is COc1ccccc1CN1CCC(C(=O)NC2CCCOC2)CC1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide?
The InChIKey is CDLGZQIADKBKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-18-7-3-2-5-16(18)13-21-10-8-15(9-11-21)19(22)20-17-6-4-12-24-14-17/h2-3,5,7,15,17H,4,6,8-14H2,1H3,(H,20,22).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide?
1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46963470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).