1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride

C14H24ClN3O2 — CID 110282635

IUPAC1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C(CC1NCCN(CC2CC2)C1=O)N1CCCC1
InChIInChI=1S/C14H23N3O2.ClH/c18-13(16-6-1-2-7-16)9-12-14(19)17(8-5-15-12)10-11-3-4-11;/h11-12,15H,1-10H2;1H
InChIKeyMHGKOAZXIZOASO-UHFFFAOYSA-N
MW301.82 g/mol
LogP0.63
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride

1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride (PubChem CID 110282635) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
PubChem CID110282635
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C(CC1NCCN(CC2CC2)C1=O)N1CCCC1
InChIInChI=1S/C14H23N3O2.ClH/c18-13(16-6-1-2-7-16)9-12-14(19)17(8-5-15-12)10-11-3-4-11;/h11-12,15H,1-10H2;1H
InChIKeyMHGKOAZXIZOASO-UHFFFAOYSA-N
XLogP0.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one
CID 110283438
1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110282647
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one
CID 110282733
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 110283411
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110282708
1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282452
3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110283805
1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283912
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
CID 110283038
3-[2-(azepan-1-yl)-2-oxoethyl]-1-[(3-bromophenyl)methyl]piperazin-2-one;hydrochloride
CID 110283633
1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283814

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride?
The IUPAC name of 1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride (CID 110282635) is 1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride is Cl.O=C(CC1NCCN(CC2CC2)C1=O)N1CCCC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride?
The InChIKey is MHGKOAZXIZOASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.ClH/c18-13(16-6-1-2-7-16)9-12-14(19)17(8-5-15-12)10-11-3-4-11;/h11-12,15H,1-10H2;1H.
What are the key properties of 1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride?
1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 110282635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).