1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide

C20H30N2O4 — CID 1071363

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)c(OC)c1
InChIInChI=1S/C20H30N2O4/c1-24-17-6-5-16(19(12-17)25-2)14-22-9-7-15(8-10-22)20(23)21-13-18-4-3-11-26-18/h5-6,12,15,18H,3-4,7-11,13-14H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyLYKMEDIGKQYMNV-SFHVURJKSA-N
MW362.47 g/mol
LogP2.21
Rot. Bonds7

About 1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide

1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 1071363) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID1071363
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)c(OC)c1
InChIInChI=1S/C20H30N2O4/c1-24-17-6-5-16(19(12-17)25-2)14-22-9-7-15(8-10-22)20(23)21-13-18-4-3-11-26-18/h5-6,12,15,18H,3-4,7-11,13-14H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyLYKMEDIGKQYMNV-SFHVURJKSA-N
XLogP2.21
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071362
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 16910047
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
1-[(2-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163328027
1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3160476
1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3912331
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1343432
1-[(4-chloro-2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 100684521
1-(3-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749039
1-(3-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749040
1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid
CID 123132459
N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 163328451

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide (CID 1071363) is 1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide is COc1ccc(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is LYKMEDIGKQYMNV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-24-17-6-5-16(19(12-17)25-2)14-22-9-7-15(8-10-22)20(23)21-13-18-4-3-11-26-18/h5-6,12,15,18H,3-4,7-11,13-14H2,1-2H3,(H,21,23)/t18-/m0/s1.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1071363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).