N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide

C11H19ClN2O2 — CID 103500767

IUPACN-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)NC(=O)CCl)CC1
InChIInChI=1S/C11H19ClN2O2/c1-8(2)9-3-5-14(6-4-9)11(16)13-10(15)7-12/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyPGZPQVQQROZCCF-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.83
Rot. Bonds2

About N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide

N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide (PubChem CID 103500767) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide
PubChem CID103500767
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC NameN-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)NC(=O)CCl)CC1
InChIInChI=1S/C11H19ClN2O2/c1-8(2)9-3-5-14(6-4-9)11(16)13-10(15)7-12/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyPGZPQVQQROZCCF-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.83
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-(2-chloroacetyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 65530032
N-(2-chloropropanoyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 65532740
N-(2-chloroacetyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 65532741
N-(2-chloropropanoyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 65532933
N-[1-(2-Chloro-acetyl)-piperidin-4-ylmethyl]-acetamide
CID 66567451
N-Acetyl-4-methyl-1-piperidinecarboxamide
CID 13442636
N-(2-chloroacetyl)piperidine-1-carboxamide
CID 13774405
1-N-(2-chloropropanoyl)piperidine-1,3-dicarboxamide
CID 43146142
1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide
CID 43146143
N-(3-chloropropanoyl)-4-methylpiperidine-1-carboxamide
CID 43146145
N-(2-chloropropanoyl)-4-methylpiperidine-1-carboxamide
CID 43146146
N-(2-Chloroacetyl)-4-methyl-1-piperidinecarboxamide
CID 43146147

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide (CID 103500767) is N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide is CC(C)C1CCN(C(=O)NC(=O)CCl)CC1.
What is the InChIKey of N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is PGZPQVQQROZCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-8(2)9-3-5-14(6-4-9)11(16)13-10(15)7-12/h8-9H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide?
N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 246.74 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 103500767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).