N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride

C17H27ClN2O4 — CID 119287617

IUPACN-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1cc(C(C)NC(=O)C2CCCCN2)cc(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-11(19-17(20)13-7-5-6-8-18-13)12-9-14(21-2)16(23-4)15(10-12)22-3;/h9-11,13,18H,5-8H2,1-4H3,(H,19,20);1H
InChIKeyWHLBRUBDLPPOQY-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.45
Rot. Bonds6

About N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride

N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119287617) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119287617
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1cc(C(C)NC(=O)C2CCCCN2)cc(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-11(19-17(20)13-7-5-6-8-18-13)12-9-14(21-2)16(23-4)15(10-12)22-3;/h9-11,13,18H,5-8H2,1-4H3,(H,19,20);1H
InChIKeyWHLBRUBDLPPOQY-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694047
(2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694031
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 43709599
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287627
(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671461
N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119267767
(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119683030
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119287644
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119691813
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119289128

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119287617) is N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is COc1cc(C(C)NC(=O)C2CCCCN2)cc(OC)c1OC.Cl.
What is the InChIKey of N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is WHLBRUBDLPPOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-11(19-17(20)13-7-5-6-8-18-13)12-9-14(21-2)16(23-4)15(10-12)22-3;/h9-11,13,18H,5-8H2,1-4H3,(H,19,20);1H.
What are the key properties of N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119287617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).