3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide

C15H27ClN2O2 — CID 63680198

IUPAC3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)C(C)(C)CCl)CC1
InChIInChI=1S/C15H27ClN2O2/c1-14(2,3)13(20)18-8-6-11(7-9-18)17-12(19)15(4,5)10-16/h11H,6-10H2,1-5H3,(H,17,19)
InChIKeyDEXFHNOPMWLZTB-UHFFFAOYSA-N
MW302.85 g/mol
LogP2.40
Rot. Bonds3

About 3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide

3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 63680198) has the molecular formula C15H27ClN2O2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID63680198
Molecular FormulaC15H27ClN2O2
Molecular Weight302.85 g/mol
Exact Mass302.18
IUPAC Name3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)C(C)(C)CCl)CC1
InChIInChI=1S/C15H27ClN2O2/c1-14(2,3)13(20)18-8-6-11(7-9-18)17-12(19)15(4,5)10-16/h11H,6-10H2,1-5H3,(H,17,19)
InChIKeyDEXFHNOPMWLZTB-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 52.40
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-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide
CID 63681125
3-chloro-N-cyclobutyl-2,2-dimethylpropanamide
CID 63664456
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 63680196
3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108566693
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110819893
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hydroxybutanamide
CID 79204128
3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 108566261
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide
CID 108561890
2-(tert-butylamino)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 49488670
3-chloro-N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 108564507
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108559556
2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 76887363

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide (CID 63680198) is 3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N1CCC(NC(=O)C(C)(C)CCl)CC1.
What is the InChIKey of 3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is DEXFHNOPMWLZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN2O2/c1-14(2,3)13(20)18-8-6-11(7-9-18)17-12(19)15(4,5)10-16/h11H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide?
3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 302.85 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 63680198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).