N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide

C16H24N2O2 — CID 60928613

IUPACN-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)C1CCCNC1
InChIInChI=1S/C16H24N2O2/c1-3-9-20-15-10-12(2)6-7-14(15)18-16(19)13-5-4-8-17-11-13/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyILWKWKNTZAERLS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.72
Rot. Bonds5

About N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide

N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide (PubChem CID 60928613) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide
PubChem CID60928613
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)C1CCCNC1
InChIInChI=1S/C16H24N2O2/c1-3-9-20-15-10-12(2)6-7-14(15)18-16(19)13-5-4-8-17-11-13/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyILWKWKNTZAERLS-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-methyl-2-propoxyphenyl)cyclohexane-1-carboxamide
CID 63042176
3-methyl-N-(4-methyl-2-propoxyphenyl)pyrrolidine-2-carboxamide
CID 102778369
(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349
N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide
CID 64561866
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654
N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 119739476
N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride
CID 119887720
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-methyl-4-[5-methyl-2-(piperidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide
CID 119893265
N-(2-fluoro-5-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119264146
N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide
CID 119339437

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide (CID 60928613) is N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide is CCCOc1cc(C)ccc1NC(=O)C1CCCNC1.
What is the InChIKey of N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide?
The InChIKey is ILWKWKNTZAERLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-9-20-15-10-12(2)6-7-14(15)18-16(19)13-5-4-8-17-11-13/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide?
N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 60928613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).