N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide

C21H34N2O2 — CID 119342940

IUPACN-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide
SMILESCC(C)COc1ccccc1C(CC(C)C)NC(=O)C1CCNCC1
InChIInChI=1S/C21H34N2O2/c1-15(2)13-19(23-21(24)17-9-11-22-12-10-17)18-7-5-6-8-20(18)25-14-16(3)4/h5-8,15-17,19,22H,9-14H2,1-4H3,(H,23,24)
InChIKeyQDKCHVPEKNBXMZ-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.92
Rot. Bonds8

About N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide

N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide (PubChem CID 119342940) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide
PubChem CID119342940
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC NameN-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide
SMILESCC(C)COc1ccccc1C(CC(C)C)NC(=O)C1CCNCC1
InChIInChI=1S/C21H34N2O2/c1-15(2)13-19(23-21(24)17-9-11-22-12-10-17)18-7-5-6-8-20(18)25-14-16(3)4/h5-8,15-17,19,22H,9-14H2,1-4H3,(H,23,24)
InChIKeyQDKCHVPEKNBXMZ-UHFFFAOYSA-N
XLogP3.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride
CID 119323124
N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
CID 119812339
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 119294139
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide
CID 119315130
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129
2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
CID 110016070
N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride
CID 119323136
N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
CID 119816799
N-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
CID 50961416
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119299969
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43701759

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide (CID 119342940) is N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide is CC(C)COc1ccccc1C(CC(C)C)NC(=O)C1CCNCC1.
What is the InChIKey of N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide?
The InChIKey is QDKCHVPEKNBXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-15(2)13-19(23-21(24)17-9-11-22-12-10-17)18-7-5-6-8-20(18)25-14-16(3)4/h5-8,15-17,19,22H,9-14H2,1-4H3,(H,23,24).
What are the key properties of N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide?
N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 119342940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).