N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide

C16H24N2O2 — CID 119308262

IUPACN-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide
SMILESCc1ccc(OCCCNC(=O)C2CCCCN2)cc1
InChIInChI=1S/C16H24N2O2/c1-13-6-8-14(9-7-13)20-12-4-11-18-16(19)15-5-2-3-10-17-15/h6-9,15,17H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyZLXOALRGZUQTJN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.02
Rot. Bonds6

About N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide

N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide (PubChem CID 119308262) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide
PubChem CID119308262
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide
SMILESCc1ccc(OCCCNC(=O)C2CCCCN2)cc1
InChIInChI=1S/C16H24N2O2/c1-13-6-8-14(9-7-13)20-12-4-11-18-16(19)15-5-2-3-10-17-15/h6-9,15,17H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyZLXOALRGZUQTJN-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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

N-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxamide
CID 119266821
N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119266831
(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 58563871
N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
N-(2-phenoxyethyl)azepane-2-carboxamide
CID 64562494
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295995
N-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 119289286
N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757273
(2R)-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-2-carboxamide
CID 103809635
N-(3-ethoxypropyl)azepane-2-carboxamide
CID 64562798
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide (CID 119308262) is N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide is Cc1ccc(OCCCNC(=O)C2CCCCN2)cc1.
What is the InChIKey of N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide?
The InChIKey is ZLXOALRGZUQTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-6-8-14(9-7-13)20-12-4-11-18-16(19)15-5-2-3-10-17-15/h6-9,15,17H,2-5,10-12H2,1H3,(H,18,19).
What are the key properties of N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide?
N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 119308262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).