N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride

C17H27ClN2O2 — CID 119306015

IUPACN-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)CCOc1cccc(NC(=O)C2CCCNC2)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13(2)8-10-21-16-7-3-6-15(11-16)19-17(20)14-5-4-9-18-12-14;/h3,6-7,11,13-14,18H,4-5,8-10,12H2,1-2H3,(H,19,20);1H
InChIKeyAVMQJEZXDVJLRU-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.47
Rot. Bonds6

About N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride

N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119306015) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119306015
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)CCOc1cccc(NC(=O)C2CCCNC2)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13(2)8-10-21-16-7-3-6-15(11-16)19-17(20)14-5-4-9-18-12-14;/h3,6-7,11,13-14,18H,4-5,8-10,12H2,1-2H3,(H,19,20);1H
InChIKeyAVMQJEZXDVJLRU-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885790
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452
N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119303125
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119323699
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 63005560
N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide
CID 119885879
N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306298
N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride
CID 119263523
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119875040
N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119301559

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride (CID 119306015) is N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride is CC(C)CCOc1cccc(NC(=O)C2CCCNC2)c1.Cl.
What is the InChIKey of N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is AVMQJEZXDVJLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-13(2)8-10-21-16-7-3-6-15(11-16)19-17(20)14-5-4-9-18-12-14;/h3,6-7,11,13-14,18H,4-5,8-10,12H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride?
N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119306015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).