1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide

C9H14ClN3O3 — CID 43146143

IUPAC1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)C1CCCN(C(=O)NC(=O)CCl)C1
InChIInChI=1S/C9H14ClN3O3/c10-4-7(14)12-9(16)13-3-1-2-6(5-13)8(11)15/h6H,1-5H2,(H2,11,15)(H,12,14,16)
InChIKeyURPHBEYVDDMELC-UHFFFAOYSA-N
MW247.68 g/mol
LogP-0.34
Rot. Bonds2

About 1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide

1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide (PubChem CID 43146143) has the molecular formula C9H14ClN3O3 and a molecular weight of 247.68 g/mol. Its IUPAC name is 1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide
PubChem CID43146143
Molecular FormulaC9H14ClN3O3
Molecular Weight247.68 g/mol
Exact Mass247.07
IUPAC Name1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)C1CCCN(C(=O)NC(=O)CCl)C1
InChIInChI=1S/C9H14ClN3O3/c10-4-7(14)12-9(16)13-3-1-2-6(5-13)8(11)15/h6H,1-5H2,(H2,11,15)(H,12,14,16)
InChIKeyURPHBEYVDDMELC-UHFFFAOYSA-N
XLogP-0.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide
CID 43146182
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 16785427
N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 115560990
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107825829
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566036
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate
CID 134069304
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
(2S)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61185431
1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161145

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide (CID 43146143) is 1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide is NC(=O)C1CCCN(C(=O)NC(=O)CCl)C1.
What is the InChIKey of 1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide?
The InChIKey is URPHBEYVDDMELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3/c10-4-7(14)12-9(16)13-3-1-2-6(5-13)8(11)15/h6H,1-5H2,(H2,11,15)(H,12,14,16).
What are the key properties of 1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide?
1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide has a molecular weight of 247.68 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 43146143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).