N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide

C14H27ClN2O — CID 63681125

IUPACN-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H27ClN2O/c1-13(2,3)17-8-6-11(7-9-17)16-12(18)14(4,5)10-15/h11H,6-10H2,1-5H3,(H,16,18)
InChIKeyVWKILPXXCHUYNE-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.63
Rot. Bonds3

About N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide

N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide (PubChem CID 63681125) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide
PubChem CID63681125
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H27ClN2O/c1-13(2,3)17-8-6-11(7-9-17)16-12(18)14(4,5)10-15/h11H,6-10H2,1-5H3,(H,16,18)
InChIKeyVWKILPXXCHUYNE-UHFFFAOYSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.63
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

3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 63680198
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
2-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylpropanamide
CID 61264639
2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79805040
3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108566693
N-(1-tert-butylpiperidin-4-yl)-5-hydroxypentanamide
CID 79199518
3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 108566261
N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 90438031
3-chloro-N-[1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 108564507
2-(azetidin-3-yl)-N-(1-tert-butylpiperidin-4-yl)acetamide
CID 64609725
2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide
CID 65230009

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide (CID 63681125) is N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)NC1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide?
The InChIKey is VWKILPXXCHUYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN2O/c1-13(2,3)17-8-6-11(7-9-17)16-12(18)14(4,5)10-15/h11H,6-10H2,1-5H3,(H,16,18).
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide?
N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide has a molecular weight of 274.84 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide is sourced from PubChem (CID 63681125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).