(3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide

C17H26N2O4 — CID 99970361

IUPAC(3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cc(CNC(=O)[C@H]2CCCN(C)C2)cc(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-19-7-5-6-13(11-19)17(20)18-10-12-8-14(21-2)16(23-4)15(9-12)22-3/h8-9,13H,5-7,10-11H2,1-4H3,(H,18,20)/t13-/m0/s1
InChIKeyOSUQIDIALBEKFD-ZDUSSCGKSA-N
MW322.41 g/mol
LogP1.67
Rot. Bonds6

About (3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide

(3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 99970361) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID99970361
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name(3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cc(CNC(=O)[C@H]2CCCN(C)C2)cc(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-19-7-5-6-13(11-19)17(20)18-10-12-8-14(21-2)16(23-4)15(9-12)22-3/h8-9,13H,5-7,10-11H2,1-4H3,(H,18,20)/t13-/m0/s1
InChIKeyOSUQIDIALBEKFD-ZDUSSCGKSA-N
XLogP1.67
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(2-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023181
(3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide
CID 95396834
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
2-methyl-1-[(1-methylpiperidin-3-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111767476
1-(4,7-dimethylquinazolin-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 45172556
(3R)-1-(1H-benzimidazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876760
1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 26444974
(1S)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 25396191
N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45171198
1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 2973401
2-(cyclopropylmethylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119691576
N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide
CID 49402246

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide (CID 99970361) is (3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide is COc1cc(CNC(=O)[C@H]2CCCN(C)C2)cc(OC)c1OC.
What is the InChIKey of (3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is OSUQIDIALBEKFD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-19-7-5-6-13(11-19)17(20)18-10-12-8-14(21-2)16(23-4)15(9-12)22-3/h8-9,13H,5-7,10-11H2,1-4H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
(3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 99970361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).