N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide

C20H32N2O3 — CID 119274977

IUPACN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide
SMILESCCOc1ccc(C(NC(=O)C2CCNCC2)C(C)C)cc1OCC
InChIInChI=1S/C20H32N2O3/c1-5-24-17-8-7-16(13-18(17)25-6-2)19(14(3)4)22-20(23)15-9-11-21-12-10-15/h7-8,13-15,19,21H,5-6,9-12H2,1-4H3,(H,22,23)
InChIKeyZOBXBYADQDYIBJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.30
Rot. Bonds8

About N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide (PubChem CID 119274977) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide
PubChem CID119274977
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide
SMILESCCOc1ccc(C(NC(=O)C2CCNCC2)C(C)C)cc1OCC
InChIInChI=1S/C20H32N2O3/c1-5-24-17-8-7-16(13-18(17)25-6-2)19(14(3)4)22-20(23)15-9-11-21-12-10-15/h7-8,13-15,19,21H,5-6,9-12H2,1-4H3,(H,22,23)
InChIKeyZOBXBYADQDYIBJ-UHFFFAOYSA-N
XLogP3.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(3,4-diethoxyphenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672384
N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119270790
N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide
CID 119273047
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119696392
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 119294139
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119935760
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide
CID 75896022
N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119267767
(3R)-N-[(1R)-1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 34477987
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide (CID 119274977) is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide is CCOc1ccc(C(NC(=O)C2CCNCC2)C(C)C)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide?
The InChIKey is ZOBXBYADQDYIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-5-24-17-8-7-16(13-18(17)25-6-2)19(14(3)4)22-20(23)15-9-11-21-12-10-15/h7-8,13-15,19,21H,5-6,9-12H2,1-4H3,(H,22,23).
What are the key properties of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide?
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 119274977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).