4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride

C19H27Cl2N3O3 — CID 119518045

IUPAC4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)N2CCC(C(C)N)CC2)CC1=O.Cl
InChIInChI=1S/C19H26ClN3O3.ClH/c1-12(21)13-5-7-22(8-6-13)19(25)14-9-18(24)23(11-14)16-10-15(20)3-4-17(16)26-2;/h3-4,10,12-14H,5-9,11,21H2,1-2H3;1H
InChIKeySOFFCQWCFSZWKL-UHFFFAOYSA-N
MW416.35 g/mol
LogP2.71
Rot. Bonds4

About 4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride

4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 119518045) has the molecular formula C19H27Cl2N3O3 and a molecular weight of 416.35 g/mol. Its IUPAC name is 4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
PubChem CID119518045
Molecular FormulaC19H27Cl2N3O3
Molecular Weight416.35 g/mol
Exact Mass415.14
IUPAC Name4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)N2CCC(C(C)N)CC2)CC1=O.Cl
InChIInChI=1S/C19H26ClN3O3.ClH/c1-12(21)13-5-7-22(8-6-13)19(25)14-9-18(24)23(11-14)16-10-15(20)3-4-17(16)26-2;/h3-4,10,12-14H,5-9,11,21H2,1-2H3;1H
InChIKeySOFFCQWCFSZWKL-UHFFFAOYSA-N
XLogP2.71
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azetidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 134015599
4-(3-aminopiperidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 119378594
N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655234
1-(5-chloro-2-methoxyphenyl)-4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyrrolidin-2-one
CID 119636314
1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55330307
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119596516
1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 112836375
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 119594540
4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120659035
1-(5-chloro-2-methoxyphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 47005186
1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108763993
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24680226

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride (CID 119518045) is 4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride is COc1ccc(Cl)cc1N1CC(C(=O)N2CCC(C(C)N)CC2)CC1=O.Cl.
What is the InChIKey of 4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is SOFFCQWCFSZWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3.ClH/c1-12(21)13-5-7-22(8-6-13)19(25)14-9-18(24)23(11-14)16-10-15(20)3-4-17(16)26-2;/h3-4,10,12-14H,5-9,11,21H2,1-2H3;1H.
What are the key properties of 4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride?
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 416.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119518045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).