(2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C17H27ClN2O4 — CID 120618500

IUPAC(2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(CNC(=O)[C@H]2CCN[C@@H](C)C2)cc(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-11-7-13(5-6-18-11)17(20)19-10-12-8-14(21-2)16(23-4)15(9-12)22-3;/h8-9,11,13,18H,5-7,10H2,1-4H3,(H,19,20);1H/t11-,13-;/m0./s1
InChIKeyWLTZAHCJFGOOMT-JZKFLRDJSA-N
MW358.87 g/mol
LogP2.14
Rot. Bonds6

About (2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120618500) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120618500
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC Name(2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(CNC(=O)[C@H]2CCN[C@@H](C)C2)cc(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-11-7-13(5-6-18-11)17(20)19-10-12-8-14(21-2)16(23-4)15(9-12)22-3;/h8-9,11,13,18H,5-7,10H2,1-4H3,(H,19,20);1H/t11-,13-;/m0./s1
InChIKeyWLTZAHCJFGOOMT-JZKFLRDJSA-N
XLogP2.14
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632254
(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641010
(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120641011
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
(2S,4S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120630600
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738
4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119691567
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773
(2S,4S)-N-[(4-chloro-2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631755
N-[(2-methoxy-4-pyridinyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739998

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 120618500) is (2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is COc1cc(CNC(=O)[C@H]2CCN[C@@H](C)C2)cc(OC)c1OC.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is WLTZAHCJFGOOMT-JZKFLRDJSA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-11-7-13(5-6-18-11)17(20)19-10-12-8-14(21-2)16(23-4)15(9-12)22-3;/h8-9,11,13,18H,5-7,10H2,1-4H3,(H,19,20);1H/t11-,13-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120618500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).