2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide

C14H23ClN2O2 — CID 50988896

IUPAC2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
SMILESO=C(CCl)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H23ClN2O2/c15-10-13(18)16-12-6-8-17(9-7-12)14(19)11-4-2-1-3-5-11/h11-12H,1-10H2,(H,16,18)
InChIKeyQTUXHTANRDIVIE-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.91
Rot. Bonds3

About 2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide

2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide (PubChem CID 50988896) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
PubChem CID50988896
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
SMILESO=C(CCl)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H23ClN2O2/c15-10-13(18)16-12-6-8-17(9-7-12)14(19)11-4-2-1-3-5-11/h11-12H,1-10H2,(H,16,18)
InChIKeyQTUXHTANRDIVIE-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.91
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

2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 108563873
2-chloro-N-cyclododecylacetamide
CID 4285747
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-hydroxyacetamide
CID 143286863
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557702
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
CID 43700730
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide
CID 108556562
N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55706617
ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 108563869
3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea
CID 108563875

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide (CID 50988896) is 2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide is O=C(CCl)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
The InChIKey is QTUXHTANRDIVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c15-10-13(18)16-12-6-8-17(9-7-12)14(19)11-4-2-1-3-5-11/h11-12H,1-10H2,(H,16,18).
What are the key properties of 2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide?
2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide has a molecular weight of 286.80 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 50988896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).