4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one

C21H31N3O3 — CID 86902965

IUPAC4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one
SMILESCC1CCC(N2CC(C(=O)N3CCN(Cc4ccco4)CC3)CC2=O)CC1
InChIInChI=1S/C21H31N3O3/c1-16-4-6-18(7-5-16)24-14-17(13-20(24)25)21(26)23-10-8-22(9-11-23)15-19-3-2-12-27-19/h2-3,12,16-18H,4-11,13-15H2,1H3
InChIKeyQSAXNTBHNWBOMZ-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.35
Rot. Bonds4

About 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one

4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one (PubChem CID 86902965) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one
PubChem CID86902965
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one
SMILESCC1CCC(N2CC(C(=O)N3CCN(Cc4ccco4)CC3)CC2=O)CC1
InChIInChI=1S/C21H31N3O3/c1-16-4-6-18(7-5-16)24-14-17(13-20(24)25)21(26)23-10-8-22(9-11-23)15-19-3-2-12-27-19/h2-3,12,16-18H,4-11,13-15H2,1H3
InChIKeyQSAXNTBHNWBOMZ-UHFFFAOYSA-N
XLogP2.35
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-4-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55950449
(4R)-1-cyclopropyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 94017125
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
(4R)-1-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017405
1-cyclopropyl-4-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 70722242
(4S)-4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 51940683
[4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106739296
4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 43003170
4-(4-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119373158
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97147422
[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
CID 74248102
[4-(furan-2-ylmethyl)piperazin-1-yl]-[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97284491

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one (CID 86902965) is 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one is CC1CCC(N2CC(C(=O)N3CCN(Cc4ccco4)CC3)CC2=O)CC1.
What is the InChIKey of 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one?
The InChIKey is QSAXNTBHNWBOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16-4-6-18(7-5-16)24-14-17(13-20(24)25)21(26)23-10-8-22(9-11-23)15-19-3-2-12-27-19/h2-3,12,16-18H,4-11,13-15H2,1H3.
What are the key properties of 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one?
4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one has a molecular weight of 373.50 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 86902965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).