N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide

C21H30N2O6 — CID 126025662

IUPACN-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H30N2O6/c1-26-17-11-15(12-18(27-2)19(17)28-3)21(25)23-8-6-14(7-9-23)20(24)22-13-16-5-4-10-29-16/h11-12,14,16H,4-10,13H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyOXZHZFAHAOTESP-MRXNPFEDSA-N
MW406.48 g/mol
LogP1.86
Rot. Bonds7

About N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 126025662) has the molecular formula C21H30N2O6 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID126025662
Molecular FormulaC21H30N2O6
Molecular Weight406.48 g/mol
Exact Mass406.21
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H30N2O6/c1-26-17-11-15(12-18(27-2)19(17)28-3)21(25)23-8-6-14(7-9-23)20(24)22-13-16-5-4-10-29-16/h11-12,14,16H,4-10,13H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyOXZHZFAHAOTESP-MRXNPFEDSA-N
XLogP1.86
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749040
1-(3-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749039
N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 113003294
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide
CID 108555226
N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1082905
1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3160476
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071362
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071363
1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 71883148
1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 46478560
tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 41242425

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide (CID 126025662) is N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide is COc1cc(C(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc(OC)c1OC.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is OXZHZFAHAOTESP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H30N2O6/c1-26-17-11-15(12-18(27-2)19(17)28-3)21(25)23-8-6-14(7-9-23)20(24)22-13-16-5-4-10-29-16/h11-12,14,16H,4-10,13H2,1-3H3,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 126025662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).