N-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide

C16H21Cl2N3O2S — CID 119480469

IUPACN-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide
SMILESCSc1cc(C(=O)N2CCCC(C(=O)NCCN)C2)c(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2N3O2S/c1-24-14-7-11(12(17)8-13(14)18)16(23)21-6-2-3-10(9-21)15(22)20-5-4-19/h7-8,10H,2-6,9,19H2,1H3,(H,20,22)
InChIKeyAZLCIZLSLLHSDC-UHFFFAOYSA-N
MW390.34 g/mol
LogP2.64
Rot. Bonds5

About N-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide (PubChem CID 119480469) has the molecular formula C16H21Cl2N3O2S and a molecular weight of 390.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide
PubChem CID119480469
Molecular FormulaC16H21Cl2N3O2S
Molecular Weight390.34 g/mol
Exact Mass389.07
IUPAC NameN-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide
SMILESCSc1cc(C(=O)N2CCCC(C(=O)NCCN)C2)c(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2N3O2S/c1-24-14-7-11(12(17)8-13(14)18)16(23)21-6-2-3-10(9-21)15(22)20-5-4-19/h7-8,10H,2-6,9,19H2,1H3,(H,20,22)
InChIKeyAZLCIZLSLLHSDC-UHFFFAOYSA-N
XLogP2.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide
CID 119481286
N-(2-aminoethyl)-1-(4-bromo-2-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482146
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-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
(3-aminopiperidin-1-yl)-(2,4-dichloro-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119378938
N-(2-aminoethyl)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxamide
CID 106688486
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide
CID 119480903
N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide
CID 63251979
N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119479473

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide (CID 119480469) is N-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide is CSc1cc(C(=O)N2CCCC(C(=O)NCCN)C2)c(Cl)cc1Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide?
The InChIKey is AZLCIZLSLLHSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O2S/c1-24-14-7-11(12(17)8-13(14)18)16(23)21-6-2-3-10(9-21)15(22)20-5-4-19/h7-8,10H,2-6,9,19H2,1H3,(H,20,22).
What are the key properties of N-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide has a molecular weight of 390.34 g/mol, XLogP of 2.64, 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-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119480469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).