N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide

C15H21ClN2O2 — CID 119336972

IUPACN-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide
SMILESCC(CNC(=O)C1CCCCN1)Oc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-11(20-13-6-4-5-12(16)9-13)10-18-15(19)14-7-2-3-8-17-14/h4-6,9,11,14,17H,2-3,7-8,10H2,1H3,(H,18,19)
InChIKeyNVALNYWPZBBZNF-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.37
Rot. Bonds5

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

N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide (PubChem CID 119336972) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide
PubChem CID119336972
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide
SMILESCC(CNC(=O)C1CCCCN1)Oc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-11(20-13-6-4-5-12(16)9-13)10-18-15(19)14-7-2-3-8-17-14/h4-6,9,11,14,17H,2-3,7-8,10H2,1H3,(H,18,19)
InChIKeyNVALNYWPZBBZNF-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119336985
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide
CID 119295522
N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335744
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119295521
N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295688
N-[2-(3-chlorophenoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119336993
N-[2-(3-chlorophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807141
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide
CID 119340615
N-[2-(3-chlorophenoxy)propyl]morpholine-2-carboxamide;hydrochloride
CID 119807139
3-amino-N-[2-(3-chlorophenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119807110
(2S)-N-(2-methoxypropyl)piperidine-2-carboxamide
CID 102695060

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide (CID 119336972) is N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide is CC(CNC(=O)C1CCCCN1)Oc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide?
The InChIKey is NVALNYWPZBBZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(20-13-6-4-5-12(16)9-13)10-18-15(19)14-7-2-3-8-17-14/h4-6,9,11,14,17H,2-3,7-8,10H2,1H3,(H,18,19).
What are the key properties of N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide?
N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 119336972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).