N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide

C10H17ClN2O2 — CID 60948683

IUPACN-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CCCl)C1
InChIInChI=1S/C10H17ClN2O2/c1-8(14)12-9-3-2-6-13(7-9)10(15)4-5-11/h9H,2-7H2,1H3,(H,12,14)
InChIKeyNLPXDIHFVKLEPL-UHFFFAOYSA-N
MW232.71 g/mol
LogP0.74
Rot. Bonds3

About N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide

N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide (PubChem CID 60948683) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
PubChem CID60948683
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC NameN-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CCCl)C1
InChIInChI=1S/C10H17ClN2O2/c1-8(14)12-9-3-2-6-13(7-9)10(15)4-5-11/h9H,2-7H2,1H3,(H,12,14)
InChIKeyNLPXDIHFVKLEPL-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
N-[(3R)-1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]acetamide
CID 124516868
N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide
CID 71926391
N-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-3-yl]acetamide;hydrochloride
CID 119908203
tert-butyl N-[(3R)-1-(3-chloropropanoyl)pyrrolidin-3-yl]carbamate
CID 170409265
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
N-[(3R)-1-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 100891285
N-[(3R)-1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 124739797
N-(1-prop-2-enoylpiperidin-3-yl)acetamide
CID 60949044
N-[1-(2,2-difluoroacetyl)piperidin-3-yl]acetamide
CID 103515094
N-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]acetamide
CID 75461375
N-[1-(2-aminoacetyl)piperidin-3-yl]butanamide
CID 119310790

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide (CID 60948683) is N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)CCCl)C1.
What is the InChIKey of N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide?
The InChIKey is NLPXDIHFVKLEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-8(14)12-9-3-2-6-13(7-9)10(15)4-5-11/h9H,2-7H2,1H3,(H,12,14).
What are the key properties of N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide?
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide has a molecular weight of 232.71 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 60948683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).