N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide

C12H21ClN2O2 — CID 66567488

IUPACN-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide
SMILESCC(=O)N(C(C)C)[C@@H]1CCCN(C(=O)CCl)C1
InChIInChI=1S/C12H21ClN2O2/c1-9(2)15(10(3)16)11-5-4-6-14(8-11)12(17)7-13/h9,11H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyNHKJRCSGXFVVKK-LLVKDONJSA-N
MW260.76 g/mol
LogP1.47
Rot. Bonds3

About N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide

N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide (PubChem CID 66567488) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide
PubChem CID66567488
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC NameN-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide
SMILESCC(=O)N(C(C)C)[C@@H]1CCCN(C(=O)CCl)C1
InChIInChI=1S/C12H21ClN2O2/c1-9(2)15(10(3)16)11-5-4-6-14(8-11)12(17)7-13/h9,11H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyNHKJRCSGXFVVKK-LLVKDONJSA-N
XLogP1.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide
CID 66567560
N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide
CID 66567496
2-chloro-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 129497014
2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide
CID 66565766
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
2-chloro-1-[3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 66567923
2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107216511
2-chloro-N-cyclopentyl-N-propan-2-ylacetamide
CID 54592476
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid
CID 66565402
2-chloro-1-[(3S)-3-[cyclopropyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
CID 71633806

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide (CID 66567488) is N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide is CC(=O)N(C(C)C)[C@@H]1CCCN(C(=O)CCl)C1.
What is the InChIKey of N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is NHKJRCSGXFVVKK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21ClN2O2/c1-9(2)15(10(3)16)11-5-4-6-14(8-11)12(17)7-13/h9,11H,4-8H2,1-3H3/t11-/m1/s1.
What are the key properties of N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide?
N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 260.76 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 66567488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).