1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide

C17H24ClN3O2 — CID 113003453

IUPAC1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-20(2)11-8-19-16(22)13-6-9-21(10-7-13)17(23)14-4-3-5-15(18)12-14/h3-5,12-13H,6-11H2,1-2H3,(H,19,22)
InChIKeyDDIRIHULRMKYNV-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.87
Rot. Bonds5

About 1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide

1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 113003453) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
PubChem CID113003453
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-20(2)11-8-19-16(22)13-6-9-21(10-7-13)17(23)14-4-3-5-15(18)12-14/h3-5,12-13H,6-11H2,1-2H3,(H,19,22)
InChIKeyDDIRIHULRMKYNV-UHFFFAOYSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide
CID 113002623
N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113003438
N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113005954
N-[2-(dimethylamino)ethyl]-1-(9-oxofluorene-2-carbonyl)piperidine-4-carboxamide
CID 86945861
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110821021
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide
CID 42842805
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
1-(3-chlorobenzoyl)-4-(dimethylsulfamoylamino)piperidine
CID 110821024

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (CID 113003453) is 1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is CN(C)CCNC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is DDIRIHULRMKYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-20(2)11-8-19-16(22)13-6-9-21(10-7-13)17(23)14-4-3-5-15(18)12-14/h3-5,12-13H,6-11H2,1-2H3,(H,19,22).
What are the key properties of 1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 113003453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).