5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one

C23H38N4O3 — CID 45222454

IUPAC5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
SMILESO=C1CCCN1CCCN1CC(C(=O)N2CCN(CC3CCCC3)CC2)CCC1=O
InChIInChI=1S/C23H38N4O3/c28-21-7-3-10-25(21)11-4-12-27-18-20(8-9-22(27)29)23(30)26-15-13-24(14-16-26)17-19-5-1-2-6-19/h19-20H,1-18H2
InChIKeyFDLZATUNHVNVQB-UHFFFAOYSA-N
MW418.58 g/mol
LogP1.57
Rot. Bonds7

About 5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one

5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one (PubChem CID 45222454) has the molecular formula C23H38N4O3 and a molecular weight of 418.58 g/mol. Its IUPAC name is 5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one.

Molecular Properties

Compound Name5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
PubChem CID45222454
Molecular FormulaC23H38N4O3
Molecular Weight418.58 g/mol
Exact Mass418.29
IUPAC Name5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
SMILESO=C1CCCN1CCCN1CC(C(=O)N2CCN(CC3CCCC3)CC2)CCC1=O
InChIInChI=1S/C23H38N4O3/c28-21-7-3-10-25(21)11-4-12-27-18-20(8-9-22(27)29)23(30)26-15-13-24(14-16-26)17-19-5-1-2-6-19/h19-20H,1-18H2
InChIKeyFDLZATUNHVNVQB-UHFFFAOYSA-N
XLogP1.57
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
The IUPAC name of 5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one (CID 45222454) is 5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one.
What is the SMILES notation for 5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
The canonical SMILES for 5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one is O=C1CCCN1CCCN1CC(C(=O)N2CCN(CC3CCCC3)CC2)CCC1=O.
What is the InChIKey of 5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
The InChIKey is FDLZATUNHVNVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O3/c28-21-7-3-10-25(21)11-4-12-27-18-20(8-9-22(27)29)23(30)26-15-13-24(14-16-26)17-19-5-1-2-6-19/h19-20H,1-18H2.
What are the key properties of 5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one has a molecular weight of 418.58 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one is sourced from PubChem (CID 45222454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).