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

C16H30ClN3O4S — CID 119481830

IUPACN-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C16H29N3O4S.ClH/c17-8-9-18-16(21)13-4-3-10-19(12-13)15(20)7-11-24(22,23)14-5-1-2-6-14;/h13-14H,1-12,17H2,(H,18,21);1H
InChIKeySGSNWBNOUMVFHY-UHFFFAOYSA-N
MW395.95 g/mol
LogP0.47
Rot. Bonds7

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

N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119481830) has the molecular formula C16H30ClN3O4S and a molecular weight of 395.95 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119481830
Molecular FormulaC16H30ClN3O4S
Molecular Weight395.95 g/mol
Exact Mass395.16
IUPAC NameN-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C16H29N3O4S.ClH/c17-8-9-18-16(21)13-4-3-10-19(12-13)15(20)7-11-24(22,23)14-5-1-2-6-14;/h13-14H,1-12,17H2,(H,18,21);1H
InChIKeySGSNWBNOUMVFHY-UHFFFAOYSA-N
XLogP0.47
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.95
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
CID 119482463
N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119260266
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide
CID 63251976
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
N-(2-aminoethyl)-1-[3-(benzenesulfonamido)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481380
N-(2-aminoethyl)-1-(2-cyclobutylacetyl)piperidine-3-carboxamide
CID 103806108
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
CID 119479921
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
CID 63252023
N-(2-aminoethyl)-1-[3-(4-chlorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479751

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride (CID 119481830) is N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is SGSNWBNOUMVFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4S.ClH/c17-8-9-18-16(21)13-4-3-10-19(12-13)15(20)7-11-24(22,23)14-5-1-2-6-14;/h13-14H,1-12,17H2,(H,18,21);1H.
What are the key properties of N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 395.95 g/mol, XLogP of 0.47, 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-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119481830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).