4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide

C17H28ClN3O3 — CID 108564916

IUPAC4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
SMILESCC(C)N1CC(C(=O)N2CCC(NC(=O)CCCCl)CC2)CC1=O
InChIInChI=1S/C17H28ClN3O3/c1-12(2)21-11-13(10-16(21)23)17(24)20-8-5-14(6-9-20)19-15(22)4-3-7-18/h12-14H,3-11H2,1-2H3,(H,19,22)
InChIKeyUVHWEAGYGXCYIZ-UHFFFAOYSA-N
MW357.88 g/mol
LogP1.37
Rot. Bonds6

About 4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide

4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide (PubChem CID 108564916) has the molecular formula C17H28ClN3O3 and a molecular weight of 357.88 g/mol. Its IUPAC name is 4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
PubChem CID108564916
Molecular FormulaC17H28ClN3O3
Molecular Weight357.88 g/mol
Exact Mass357.18
IUPAC Name4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
SMILESCC(C)N1CC(C(=O)N2CCC(NC(=O)CCCCl)CC2)CC1=O
InChIInChI=1S/C17H28ClN3O3/c1-12(2)21-11-13(10-16(21)23)17(24)20-8-5-14(6-9-20)19-15(22)4-3-7-18/h12-14H,3-11H2,1-2H3,(H,19,22)
InChIKeyUVHWEAGYGXCYIZ-UHFFFAOYSA-N
XLogP1.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]butanamide
CID 108564809
4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
CID 108553741
2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
CID 108564919
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
CID 43700730
1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552376
4-(dimethylsulfamoylamino)-1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidine
CID 108564907
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide
CID 108555513
2-chloroethyl N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]carbamate
CID 108564820
5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551725
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 43700529
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide
CID 108558047
2,2-dichloro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 108564813

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide (CID 108564916) is 4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide is CC(C)N1CC(C(=O)N2CCC(NC(=O)CCCCl)CC2)CC1=O.
What is the InChIKey of 4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide?
The InChIKey is UVHWEAGYGXCYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O3/c1-12(2)21-11-13(10-16(21)23)17(24)20-8-5-14(6-9-20)19-15(22)4-3-7-18/h12-14H,3-11H2,1-2H3,(H,19,22).
What are the key properties of 4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide?
4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide has a molecular weight of 357.88 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 108564916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).