N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride

C15H23Cl2N3O2S — CID 119480023

IUPACN-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C(=O)N1CCCC(C(=O)NCCN)C1)c1ccc(Cl)s1.Cl
InChIInChI=1S/C15H22ClN3O2S.ClH/c1-10(12-4-5-13(16)22-12)15(21)19-8-2-3-11(9-19)14(20)18-7-6-17;/h4-5,10-11H,2-3,6-9,17H2,1H3,(H,18,20);1H
InChIKeyGFOKDVNZJGWFRZ-UHFFFAOYSA-N
MW380.34 g/mol
LogP2.24
Rot. Bonds5

About N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119480023) has the molecular formula C15H23Cl2N3O2S and a molecular weight of 380.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119480023
Molecular FormulaC15H23Cl2N3O2S
Molecular Weight380.34 g/mol
Exact Mass379.09
IUPAC NameN-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C(=O)N1CCCC(C(=O)NCCN)C1)c1ccc(Cl)s1.Cl
InChIInChI=1S/C15H22ClN3O2S.ClH/c1-10(12-4-5-13(16)22-12)15(21)19-8-2-3-11(9-19)14(20)18-7-6-17;/h4-5,10-11H,2-3,6-9,17H2,1H3,(H,18,20);1H
InChIKeyGFOKDVNZJGWFRZ-UHFFFAOYSA-N
XLogP2.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(5-chlorothiophene-2-carbonyl)piperidine-3-carboxamide
CID 63251929
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
N-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363
N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479851
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 119410208
N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 119479891
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481611
N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride
CID 119480715
N-(2-aminoethyl)-1-[3-(4-propan-2-ylphenyl)butanoyl]piperidine-3-carboxamide
CID 119480003
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481152

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride (CID 119480023) is N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride is CC(C(=O)N1CCCC(C(=O)NCCN)C1)c1ccc(Cl)s1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is GFOKDVNZJGWFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2S.ClH/c1-10(12-4-5-13(16)22-12)15(21)19-8-2-3-11(9-19)14(20)18-7-6-17;/h4-5,10-11H,2-3,6-9,17H2,1H3,(H,18,20);1H.
What are the key properties of N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 380.34 g/mol, XLogP of 2.24, 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-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119480023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).