N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide

C16H23ClN2O2 — CID 119340528

IUPACN-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide
SMILESCCC(CNC(=O)C1CCCCN1)Oc1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-2-12(21-15-9-4-3-7-13(15)17)11-19-16(20)14-8-5-6-10-18-14/h3-4,7,9,12,14,18H,2,5-6,8,10-11H2,1H3,(H,19,20)
InChIKeyNOVKJWLVDDGADU-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.76
Rot. Bonds6

About N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide

N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide (PubChem CID 119340528) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide
PubChem CID119340528
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide
SMILESCCC(CNC(=O)C1CCCCN1)Oc1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-2-12(21-15-9-4-3-7-13(15)17)11-19-16(20)14-8-5-6-10-18-14/h3-4,7,9,12,14,18H,2,5-6,8,10-11H2,1H3,(H,19,20)
InChIKeyNOVKJWLVDDGADU-UHFFFAOYSA-N
XLogP2.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide
CID 119344757
N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide
CID 119340615
N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119148602
N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide
CID 119336972
(2R)-N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 125118275
N-[2-(2-chlorophenoxy)butyl]prop-2-enamide
CID 146089833
3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide
CID 119340532
N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide
CID 119813227
(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124591683
N-[2-(2-fluorophenoxy)butyl]morpholine-3-carboxamide
CID 119813317
N-(2-methoxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119278882
N-[2-(2-fluorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335715

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide (CID 119340528) is N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide is CCC(CNC(=O)C1CCCCN1)Oc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide?
The InChIKey is NOVKJWLVDDGADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-2-12(21-15-9-4-3-7-13(15)17)11-19-16(20)14-8-5-6-10-18-14/h3-4,7,9,12,14,18H,2,5-6,8,10-11H2,1H3,(H,19,20).
What are the key properties of N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide?
N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide has a molecular weight of 310.82 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide is sourced from PubChem (CID 119340528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).