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

C16H24N2O3 — CID 61166375

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CCNCC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-11(18-16(19)12-6-8-17-9-7-12)13-4-5-14(20-2)15(10-13)21-3/h4-5,10-12,17H,6-9H2,1-3H3,(H,18,19)
InChIKeyRKCGKDJGZFWWBK-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.88
Rot. Bonds5

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

N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 61166375) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID61166375
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CCNCC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-11(18-16(19)12-6-8-17-9-7-12)13-4-5-14(20-2)15(10-13)21-3/h4-5,10-12,17H,6-9H2,1-3H3,(H,18,19)
InChIKeyRKCGKDJGZFWWBK-UHFFFAOYSA-N
XLogP1.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 119294139
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287627
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119721176
N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119270790
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 66010445
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 43873049
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
CID 43703441
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288176
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide (CID 61166375) is N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide is COc1ccc(C(C)NC(=O)C2CCNCC2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is RKCGKDJGZFWWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(18-16(19)12-6-8-17-9-7-12)13-4-5-14(20-2)15(10-13)21-3/h4-5,10-12,17H,6-9H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 61166375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).