N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride

C18H28ClN3O4S — CID 119481442

IUPACN-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C18H27N3O4S.ClH/c1-2-12-26(24,25)16-8-4-3-7-15(16)18(23)21-11-5-6-14(13-21)17(22)20-10-9-19;/h3-4,7-8,14H,2,5-6,9-13,19H2,1H3,(H,20,22);1H
InChIKeyVMDDTTIWFCNRDI-UHFFFAOYSA-N
MW417.96 g/mol
LogP1.22
Rot. Bonds7

About N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119481442) has the molecular formula C18H28ClN3O4S and a molecular weight of 417.96 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119481442
Molecular FormulaC18H28ClN3O4S
Molecular Weight417.96 g/mol
Exact Mass417.15
IUPAC NameN-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C18H27N3O4S.ClH/c1-2-12-26(24,25)16-8-4-3-7-15(16)18(23)21-11-5-6-14(13-21)17(22)20-10-9-19;/h3-4,7-8,14H,2,5-6,9-13,19H2,1H3,(H,20,22);1H
InChIKeyVMDDTTIWFCNRDI-UHFFFAOYSA-N
XLogP1.22
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide
CID 63251979
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
[3-(1-aminoethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone;hydrochloride
CID 119595549
N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride
CID 119479664
N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide
CID 119480881
[4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 119423695
N-(2-aminoethyl)-1-[2-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481079
[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 86982540
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
N-(2-aminoethyl)-1-(2-amino-3-nitrobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480361

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride (CID 119481442) is N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride is CCCS(=O)(=O)c1ccccc1C(=O)N1CCCC(C(=O)NCCN)C1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is VMDDTTIWFCNRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S.ClH/c1-2-12-26(24,25)16-8-4-3-7-15(16)18(23)21-11-5-6-14(13-21)17(22)20-10-9-19;/h3-4,7-8,14H,2,5-6,9-13,19H2,1H3,(H,20,22);1H.
What are the key properties of N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 417.96 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119481442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).