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

C15H27ClN2O2 — CID 108561890

IUPACN-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(C(=O)C(C)(C)CCl)CC1
InChIInChI=1S/C15H27ClN2O2/c1-4-5-6-13(19)17-12-7-9-18(10-8-12)14(20)15(2,3)11-16/h12H,4-11H2,1-3H3,(H,17,19)
InChIKeyXKPBOKWUGAAUAJ-UHFFFAOYSA-N
MW302.85 g/mol
LogP2.55
Rot. Bonds6

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

N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide (PubChem CID 108561890) has the molecular formula C15H27ClN2O2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide
PubChem CID108561890
Molecular FormulaC15H27ClN2O2
Molecular Weight302.85 g/mol
Exact Mass302.18
IUPAC NameN-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(C(=O)C(C)(C)CCl)CC1
InChIInChI=1S/C15H27ClN2O2/c1-4-5-6-13(19)17-12-7-9-18(10-8-12)14(20)15(2,3)11-16/h12H,4-11H2,1-3H3,(H,17,19)
InChIKeyXKPBOKWUGAAUAJ-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 52.55
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-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hydroxybutanamide
CID 79204128
2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 108559979
3-chloro-2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 63666746
N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 63665688
N-(1-acetylpyrrolidin-3-yl)pentanamide
CID 110871326
3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 63680198
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108559556
tert-butyl N-[3-oxo-3-[4-(pentanoylamino)piperidin-1-yl]propyl]carbamate
CID 108555481
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-chloro-2,2-dimethylpropan-1-one
CID 63663822
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108560886
N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide
CID 115432123
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108562781

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide?
The IUPAC name of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide (CID 108561890) is N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide.
What is the SMILES notation for N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide?
The canonical SMILES for N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide is CCCCC(=O)NC1CCN(C(=O)C(C)(C)CCl)CC1.
What is the InChIKey of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide?
The InChIKey is XKPBOKWUGAAUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN2O2/c1-4-5-6-13(19)17-12-7-9-18(10-8-12)14(20)15(2,3)11-16/h12H,4-11H2,1-3H3,(H,17,19).
What are the key properties of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide?
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide has a molecular weight of 302.85 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide is sourced from PubChem (CID 108561890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).