1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide

C19H30N2O2 — CID 132650772

IUPAC1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(CCCNC(=O)C2CCCN(C)C2)cc1
InChIInChI=1S/C19H30N2O2/c1-15(2)23-18-10-8-16(9-11-18)6-4-12-20-19(22)17-7-5-13-21(3)14-17/h8-11,15,17H,4-7,12-14H2,1-3H3,(H,20,22)
InChIKeyDJRYWDCOOKQUHF-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.86
Rot. Bonds7

About 1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide

1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide (PubChem CID 132650772) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
PubChem CID132650772
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(CCCNC(=O)C2CCCN(C)C2)cc1
InChIInChI=1S/C19H30N2O2/c1-15(2)23-18-10-8-16(9-11-18)6-4-12-20-19(22)17-7-5-13-21(3)14-17/h8-11,15,17H,4-7,12-14H2,1-3H3,(H,20,22)
InChIKeyDJRYWDCOOKQUHF-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132660565
(3S)-1-(3-phenylpropylsulfonyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 92646552
(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 100670759
1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 56921867
1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132657660
N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46431901
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 43929734
1-[(4-fluorophenyl)methylsulfonyl]-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 38006975
(3S)-1-(3-phenylpropylsulfonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 92675636
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
CID 99970155
N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide
CID 142138153
(3S)-1-(4-chlorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 100675660

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide (CID 132650772) is 1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide is CC(C)Oc1ccc(CCCNC(=O)C2CCCN(C)C2)cc1.
What is the InChIKey of 1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is DJRYWDCOOKQUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15(2)23-18-10-8-16(9-11-18)6-4-12-20-19(22)17-7-5-13-21(3)14-17/h8-11,15,17H,4-7,12-14H2,1-3H3,(H,20,22).
What are the key properties of 1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide?
1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 132650772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).