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

C17H26N2O4 — CID 119287644

IUPACN-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CCCNC2)cc(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-11(19-17(20)12-6-5-7-18-10-12)13-8-14(21-2)16(23-4)15(9-13)22-3/h8-9,11-12,18H,5-7,10H2,1-4H3,(H,19,20)
InChIKeySVMVRFLSWIHTKX-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.89
Rot. Bonds6

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

N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 119287644) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID119287644
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CCCNC2)cc(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-11(19-17(20)12-6-5-7-18-10-12)13-8-14(21-2)16(23-4)15(9-13)22-3/h8-9,11-12,18H,5-7,10H2,1-4H3,(H,19,20)
InChIKeySVMVRFLSWIHTKX-UHFFFAOYSA-N
XLogP1.89
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287627
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43709600
(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81124863
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288176
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288240
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119721176
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119287617
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119720260

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide (CID 119287644) is N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide is COc1cc(C(C)NC(=O)C2CCCNC2)cc(OC)c1OC.
What is the InChIKey of N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is SVMVRFLSWIHTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11(19-17(20)12-6-5-7-18-10-12)13-8-14(21-2)16(23-4)15(9-13)22-3/h8-9,11-12,18H,5-7,10H2,1-4H3,(H,19,20).
What are the key properties of N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide?
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.89, 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-3-carboxamide is sourced from PubChem (CID 119287644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).