(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide

C8H13ClN2O2 — CID 9115268

IUPAC(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)CCl)C1
InChIInChI=1S/C8H13ClN2O2/c9-4-7(12)11-3-1-2-6(5-11)8(10)13/h6H,1-5H2,(H2,10,13)/t6-/m1/s1
InChIKeyBIXIPUBTNRBWMM-ZCFIWIBFSA-N
MW204.66 g/mol
LogP-0.05
Rot. Bonds2

About (3R)-1-(2-chloroacetyl)piperidine-3-carboxamide

(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide (PubChem CID 9115268) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is (3R)-1-(2-chloroacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
PubChem CID9115268
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)CCl)C1
InChIInChI=1S/C8H13ClN2O2/c9-4-7(12)11-3-1-2-6(5-11)8(10)13/h6H,1-5H2,(H2,10,13)/t6-/m1/s1
InChIKeyBIXIPUBTNRBWMM-ZCFIWIBFSA-N
XLogP-0.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 5-0.05
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

1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 16785427
1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide
CID 43146143
methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate
CID 134069304
(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide
CID 172908529
2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662901
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
1-[2-(2-methoxyethylamino)acetyl]piperidine-3-carboxamide
CID 78913900
1-[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119905154
1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119933651
1-[(E)-C-aminocarbonohydrazonoyl]piperidine-3-carboxamide
CID 126972262
1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104
(3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 38895516

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chloroacetyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-chloroacetyl)piperidine-3-carboxamide (CID 9115268) is (3R)-1-(2-chloroacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-chloroacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-chloroacetyl)piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(C(=O)CCl)C1.
What is the InChIKey of (3R)-1-(2-chloroacetyl)piperidine-3-carboxamide?
The InChIKey is BIXIPUBTNRBWMM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c9-4-7(12)11-3-1-2-6(5-11)8(10)13/h6H,1-5H2,(H2,10,13)/t6-/m1/s1.
What are the key properties of (3R)-1-(2-chloroacetyl)piperidine-3-carboxamide?
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide has a molecular weight of 204.66 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chloroacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 9115268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).