N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide

C16H22ClN3O2S — CID 119481286

IUPACN-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide
SMILESCSc1ccc(Cl)c(C(=O)N2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C16H22ClN3O2S/c1-23-12-4-5-14(17)13(9-12)16(22)20-8-2-3-11(10-20)15(21)19-7-6-18/h4-5,9,11H,2-3,6-8,10,18H2,1H3,(H,19,21)
InChIKeyDHBKESDIDBAOLD-UHFFFAOYSA-N
MW355.89 g/mol
LogP1.99
Rot. Bonds5

About N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide (PubChem CID 119481286) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide
PubChem CID119481286
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC NameN-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide
SMILESCSc1ccc(Cl)c(C(=O)N2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C16H22ClN3O2S/c1-23-12-4-5-14(17)13(9-12)16(22)20-8-2-3-11(10-20)15(21)19-7-6-18/h4-5,9,11H,2-3,6-8,10,18H2,1H3,(H,19,21)
InChIKeyDHBKESDIDBAOLD-UHFFFAOYSA-N
XLogP1.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide
CID 119480469
N-(2-aminoethyl)-1-[2-chloro-5-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119482456
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-(4-bromo-2-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482146
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
N-(2-aminoethyl)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxamide
CID 106688486
(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78776798
N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
[3-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 62069294
[3-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119485849
N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide
CID 63251979

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide (CID 119481286) is N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide is CSc1ccc(Cl)c(C(=O)N2CCCC(C(=O)NCCN)C2)c1.
What is the InChIKey of N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide?
The InChIKey is DHBKESDIDBAOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2S/c1-23-12-4-5-14(17)13(9-12)16(22)20-8-2-3-11(10-20)15(21)19-7-6-18/h4-5,9,11H,2-3,6-8,10,18H2,1H3,(H,19,21).
What are the key properties of N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide has a molecular weight of 355.89 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119481286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).