(4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one

C15H26N2O2 — CID 27186995

IUPAC(4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCCCN1C[C@@H](C(=O)N2CCC[C@H](C)C2)CC1=O
InChIInChI=1S/C15H26N2O2/c1-3-4-7-16-11-13(9-14(16)18)15(19)17-8-5-6-12(2)10-17/h12-13H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyMQMDKQYFFOECMA-STQMWFEESA-N
MW266.38 g/mol
LogP1.89
Rot. Bonds4

About (4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 27186995) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID27186995
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCCCN1C[C@@H](C(=O)N2CCC[C@H](C)C2)CC1=O
InChIInChI=1S/C15H26N2O2/c1-3-4-7-16-11-13(9-14(16)18)15(19)17-8-5-6-12(2)10-17/h12-13H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyMQMDKQYFFOECMA-STQMWFEESA-N
XLogP1.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
CID 113185711
(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 94046017
(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9398589
1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 17082561
1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82042052
4-(2-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
CID 24720700
1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113185434
(4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9398270
1-butyl-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082528
ethyl 4-(5-oxo-1-pentylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 113185693
1-[(2-chlorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113183633
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163

Frequently Asked Questions

What is the IUPAC name of (4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 27186995) is (4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is CCCCN1C[C@@H](C(=O)N2CCC[C@H](C)C2)CC1=O.
What is the InChIKey of (4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is MQMDKQYFFOECMA-STQMWFEESA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-4-7-16-11-13(9-14(16)18)15(19)17-8-5-6-12(2)10-17/h12-13H,3-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 266.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 27186995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).