4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one

C16H28N2O2 — CID 113185711

IUPAC4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
SMILESCCCCCN1CC(C(=O)N2CCCC(C)C2)CC1=O
InChIInChI=1S/C16H28N2O2/c1-3-4-5-8-17-12-14(10-15(17)19)16(20)18-9-6-7-13(2)11-18/h13-14H,3-12H2,1-2H3
InChIKeyUESHCGNXHDTSQZ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.28
Rot. Bonds5

About 4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one

4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one (PubChem CID 113185711) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
PubChem CID113185711
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
SMILESCCCCCN1CC(C(=O)N2CCCC(C)C2)CC1=O
InChIInChI=1S/C16H28N2O2/c1-3-4-5-8-17-12-14(10-15(17)19)16(20)18-9-6-7-13(2)11-18/h13-14H,3-12H2,1-2H3
InChIKeyUESHCGNXHDTSQZ-UHFFFAOYSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 27186995
(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 94046017
4-(2-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
CID 24720700
(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9398589
ethyl 4-(5-oxo-1-pentylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 113185693
1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 17082561
1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82042052
1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113185434
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
1-[(2-chlorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113183633
(4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9398270

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one?
The IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one (CID 113185711) is 4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one.
What is the SMILES notation for 4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one?
The canonical SMILES for 4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one is CCCCCN1CC(C(=O)N2CCCC(C)C2)CC1=O.
What is the InChIKey of 4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one?
The InChIKey is UESHCGNXHDTSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-4-5-8-17-12-14(10-15(17)19)16(20)18-9-6-7-13(2)11-18/h13-14H,3-12H2,1-2H3.
What are the key properties of 4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one?
4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one has a molecular weight of 280.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one is sourced from PubChem (CID 113185711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).