4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide

C16H24ClN3O2 — CID 50980610

IUPAC4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1(Oc2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C16H24ClN3O2/c1-20(2)12-11-19-15(21)16(7-9-18-10-8-16)22-14-5-3-13(17)4-6-14/h3-6,18H,7-12H2,1-2H3,(H,19,21)
InChIKeyHEBOWPRIMQTUSD-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.52
Rot. Bonds6

About 4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide

4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 50980610) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
PubChem CID50980610
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1(Oc2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C16H24ClN3O2/c1-20(2)12-11-19-15(21)16(7-9-18-10-8-16)22-14-5-3-13(17)4-6-14/h3-6,18H,7-12H2,1-2H3,(H,19,21)
InChIKeyHEBOWPRIMQTUSD-UHFFFAOYSA-N
XLogP1.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 50980900
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 168654849
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896389
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119683709
1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one
CID 50954424
(2S)-1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 50976871
N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63129179
1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea
CID 113215393
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119769965
3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890837

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (CID 50980610) is 4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is CN(C)CCNC(=O)C1(Oc2ccc(Cl)cc2)CCNCC1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is HEBOWPRIMQTUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-20(2)12-11-19-15(21)16(7-9-18-10-8-16)22-14-5-3-13(17)4-6-14/h3-6,18H,7-12H2,1-2H3,(H,19,21).
What are the key properties of 4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 325.84 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 50980610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).