1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide

C10H17ClN2O2 — CID 60949285

IUPAC1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)C(C)Cl
InChIInChI=1S/C10H17ClN2O2/c1-7(11)10(15)13-6-4-3-5-8(13)9(14)12-2/h7-8H,3-6H2,1-2H3,(H,12,14)
InChIKeyMYFKXTMNZUFCQF-UHFFFAOYSA-N
MW232.71 g/mol
LogP0.74
Rot. Bonds2

About 1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide

1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide (PubChem CID 60949285) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
PubChem CID60949285
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)C(C)Cl
InChIInChI=1S/C10H17ClN2O2/c1-7(11)10(15)13-6-4-3-5-8(13)9(14)12-2/h7-8H,3-6H2,1-2H3,(H,12,14)
InChIKeyMYFKXTMNZUFCQF-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide
CID 79013406
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
2-methyl-3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 114897714
1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
CID 103515226
1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-2-carboxamide
CID 76925120
(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid
CID 10845919
N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202407
1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide
CID 76944384
lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate
CID 142547749
1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide
CID 60944712
2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid
CID 60948393

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide (CID 60949285) is 1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)C(C)Cl.
What is the InChIKey of 1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is MYFKXTMNZUFCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-7(11)10(15)13-6-4-3-5-8(13)9(14)12-2/h7-8H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide?
1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 232.71 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 60949285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).