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

C17H26N2O2 — CID 119273380

IUPACN-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCCNC2)C(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-12(2)16(13-6-8-15(21-3)9-7-13)19-17(20)14-5-4-10-18-11-14/h6-9,12,14,16,18H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyDJYXEAPHXWNBFE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.51
Rot. Bonds5

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

N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide (PubChem CID 119273380) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
PubChem CID119273380
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCCNC2)C(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-12(2)16(13-6-8-15(21-3)9-7-13)19-17(20)14-5-4-10-18-11-14/h6-9,12,14,16,18H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyDJYXEAPHXWNBFE-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 43708609
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119693479
2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide
CID 110013851
N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119272446
(3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81124404
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 43709154
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119287644
(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-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43709600

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide (CID 119273380) is N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide is COc1ccc(C(NC(=O)C2CCCNC2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide?
The InChIKey is DJYXEAPHXWNBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)16(13-6-8-15(21-3)9-7-13)19-17(20)14-5-4-10-18-11-14/h6-9,12,14,16,18H,4-5,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide?
N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide is sourced from PubChem (CID 119273380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).