4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride

C19H28ClN3O3 — CID 119596516

IUPAC4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
SMILESCOc1ccccc1N1CC(C(=O)N2CCCC(C(C)N)C2)CC1=O.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-13(20)14-6-5-9-21(11-14)19(24)15-10-18(23)22(12-15)16-7-3-4-8-17(16)25-2;/h3-4,7-8,13-15H,5-6,9-12,20H2,1-2H3;1H
InChIKeyKZWIBFZGLOXEJI-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.06
Rot. Bonds4

About 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride

4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 119596516) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
PubChem CID119596516
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Name4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
SMILESCOc1ccccc1N1CC(C(=O)N2CCCC(C(C)N)C2)CC1=O.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-13(20)14-6-5-9-21(11-14)19(24)15-10-18(23)22(12-15)16-7-3-4-8-17(16)25-2;/h3-4,7-8,13-15H,5-6,9-12,20H2,1-2H3;1H
InChIKeyKZWIBFZGLOXEJI-UHFFFAOYSA-N
XLogP2.06
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 119594540
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119518045
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119594440
1-(2-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 18886001
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one;hydrochloride
CID 119592627
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
(4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124690531
1-(2-methoxyphenyl)-4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55340090
4-(3-aminopiperidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 119378594
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24624490
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514
4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 49070823

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride (CID 119596516) is 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride is COc1ccccc1N1CC(C(=O)N2CCCC(C(C)N)C2)CC1=O.Cl.
What is the InChIKey of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is KZWIBFZGLOXEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-13(20)14-6-5-9-21(11-14)19(24)15-10-18(23)22(12-15)16-7-3-4-8-17(16)25-2;/h3-4,7-8,13-15H,5-6,9-12,20H2,1-2H3;1H.
What are the key properties of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride?
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119596516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).