N-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide

C13H21ClN2O3 — CID 108562873

IUPACN-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NC1CCN(C(=O)C(C)Cl)CC1
InChIInChI=1S/C13H21ClN2O3/c1-9(17)3-4-12(18)15-11-5-7-16(8-6-11)13(19)10(2)14/h10-11H,3-8H2,1-2H3,(H,15,18)
InChIKeyMBXWMBKMOTUMMY-UHFFFAOYSA-N
MW288.77 g/mol
LogP1.09
Rot. Bonds5

About N-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide

N-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide (PubChem CID 108562873) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.77 g/mol. Its IUPAC name is N-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide
PubChem CID108562873
Molecular FormulaC13H21ClN2O3
Molecular Weight288.77 g/mol
Exact Mass288.12
IUPAC NameN-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NC1CCN(C(=O)C(C)Cl)CC1
InChIInChI=1S/C13H21ClN2O3/c1-9(17)3-4-12(18)15-11-5-7-16(8-6-11)13(19)10(2)14/h10-11H,3-8H2,1-2H3,(H,15,18)
InChIKeyMBXWMBKMOTUMMY-UHFFFAOYSA-N
XLogP1.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 51.09
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

N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-oxopentanamide
CID 108558057
N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide
CID 54996241
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108562484
N-[1-(2-chloropropanoyl)piperidin-4-yl]ethanesulfonamide
CID 54875918
N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide
CID 82012223
4-oxo-N-[1-(2-phenylacetyl)piperidin-4-yl]pentanamide
CID 108558031
3-cyclohexyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]propanamide
CID 108561964
2-chloro-1-(4-fluoropiperidin-1-yl)propan-1-one
CID 121200830
N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562448
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560030
6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid
CID 54868296
5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 54868295

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide?
The IUPAC name of N-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide (CID 108562873) is N-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide.
What is the SMILES notation for N-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide?
The canonical SMILES for N-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide is CC(=O)CCC(=O)NC1CCN(C(=O)C(C)Cl)CC1.
What is the InChIKey of N-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide?
The InChIKey is MBXWMBKMOTUMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3/c1-9(17)3-4-12(18)15-11-5-7-16(8-6-11)13(19)10(2)14/h10-11H,3-8H2,1-2H3,(H,15,18).
What are the key properties of N-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide?
N-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide has a molecular weight of 288.77 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloropropanoyl)piperidin-4-yl]-4-oxopentanamide is sourced from PubChem (CID 108562873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).