N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride

C19H23Cl2N3O2S — CID 119595398

IUPACN-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C1.Cl
InChIInChI=1S/C19H22ClN3O2S.ClH/c1-12(21)14-4-2-8-23(11-14)19(25)13-6-7-15(20)16(10-13)22-18(24)17-5-3-9-26-17;/h3,5-7,9-10,12,14H,2,4,8,11,21H2,1H3,(H,22,24);1H
InChIKeyPKRKQZPBGQJHAU-UHFFFAOYSA-N
MW428.39 g/mol
LogP4.28
Rot. Bonds4

About N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride

N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119595398) has the molecular formula C19H23Cl2N3O2S and a molecular weight of 428.39 g/mol. Its IUPAC name is N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119595398
Molecular FormulaC19H23Cl2N3O2S
Molecular Weight428.39 g/mol
Exact Mass427.09
IUPAC NameN-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C1.Cl
InChIInChI=1S/C19H22ClN3O2S.ClH/c1-12(21)14-4-2-8-23(11-14)19(25)13-6-7-15(20)16(10-13)22-18(24)17-5-3-9-26-17;/h3,5-7,9-10,12,14H,2,4,8,11,21H2,1H3,(H,22,24);1H
InChIKeyPKRKQZPBGQJHAU-UHFFFAOYSA-N
XLogP4.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate
CID 75387916
N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119579255
N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 41282701
N-[2-chloro-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119650923
N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 119468501
N-[2-chloro-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956968
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641
[3-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82879665
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119381021
N-[2-chloro-5-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 95275132
[3-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119596429

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride (CID 119595398) is N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride is CC(N)C1CCCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C1.Cl.
What is the InChIKey of N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is PKRKQZPBGQJHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S.ClH/c1-12(21)14-4-2-8-23(11-14)19(25)13-6-7-15(20)16(10-13)22-18(24)17-5-3-9-26-17;/h3,5-7,9-10,12,14H,2,4,8,11,21H2,1H3,(H,22,24);1H.
What are the key properties of N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride?
N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 428.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119595398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).