3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide

C16H24N2O2 — CID 63133086

IUPAC3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCCCOc2ccccc2)CCCNC1
InChIInChI=1S/C16H24N2O2/c1-16(9-5-10-17-13-16)15(19)18-11-6-12-20-14-7-3-2-4-8-14/h2-4,7-8,17H,5-6,9-13H2,1H3,(H,18,19)
InChIKeyODKVVNXNOFDITK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.96
Rot. Bonds6

About 3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide

3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide (PubChem CID 63133086) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide
PubChem CID63133086
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCCCOc2ccccc2)CCCNC1
InChIInChI=1S/C16H24N2O2/c1-16(9-5-10-17-13-16)15(19)18-11-6-12-20-14-7-3-2-4-8-14/h2-4,7-8,17H,5-6,9-13H2,1H3,(H,18,19)
InChIKeyODKVVNXNOFDITK-UHFFFAOYSA-N
XLogP1.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid
CID 63131790
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071
1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 62379855
N-(3-cyanopropyl)-3-methylpiperidine-3-carboxamide
CID 63133316
N-(3-methoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 63138395
3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119944553
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946421
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide
CID 119946458

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide (CID 63133086) is 3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide is CC1(C(=O)NCCCOc2ccccc2)CCCNC1.
What is the InChIKey of 3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide?
The InChIKey is ODKVVNXNOFDITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(9-5-10-17-13-16)15(19)18-11-6-12-20-14-7-3-2-4-8-14/h2-4,7-8,17H,5-6,9-13H2,1H3,(H,18,19).
What are the key properties of 3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide?
3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 63133086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).