(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

C14H25N3O2 — CID 9398589

IUPAC(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCCN1C[C@H](C(=O)N2CCN(C)CC2)CC1=O
InChIInChI=1S/C14H25N3O2/c1-3-4-5-17-11-12(10-13(17)18)14(19)16-8-6-15(2)7-9-16/h12H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyOGWNBFPTMDHRRC-GFCCVEGCSA-N
MW267.37 g/mol
LogP0.41
Rot. Bonds4

About (4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 9398589) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID9398589
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCCN1C[C@H](C(=O)N2CCN(C)CC2)CC1=O
InChIInChI=1S/C14H25N3O2/c1-3-4-5-17-11-12(10-13(17)18)14(19)16-8-6-15(2)7-9-16/h12H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyOGWNBFPTMDHRRC-GFCCVEGCSA-N
XLogP0.41
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82042052
ethyl 4-(5-oxo-1-pentylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 113185693
(4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 27186995
1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 17082561
(4S)-1-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8551047
4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
CID 113185711
N,N-dimethyl-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 110346275
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one
CID 9398169
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one
CID 113185700
4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 82042053
sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 23662544

Frequently Asked Questions

What is the IUPAC name of (4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 9398589) is (4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is CCCCN1C[C@H](C(=O)N2CCN(C)CC2)CC1=O.
What is the InChIKey of (4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is OGWNBFPTMDHRRC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-4-5-17-11-12(10-13(17)18)14(19)16-8-6-15(2)7-9-16/h12H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 267.37 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 9398589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).