N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide

C16H30N2O2 — CID 110820033

IUPACN-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CC(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-5-13(6-2)16(20)18-9-7-14(8-10-18)17-15(19)11-12(3)4/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyJQSYEHLXEFIMAR-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.58
Rot. Bonds6

About N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide (PubChem CID 110820033) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
PubChem CID110820033
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CC(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-5-13(6-2)16(20)18-9-7-14(8-10-18)17-15(19)11-12(3)4/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyJQSYEHLXEFIMAR-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536839
N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide
CID 65227339
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60550291
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822230
3-cyclopentylsulfonyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide
CID 55950906
N-(2,2-dimethylpropyl)-4-(3-methylbutanoylamino)piperidine-1-carboxamide
CID 110822549
1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820103
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083
2-chloroethyl N-[1-(2-ethylbutanoyl)piperidin-4-yl]carbamate
CID 108566162
3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108549550

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide (CID 110820033) is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide is CCC(CC)C(=O)N1CCC(NC(=O)CC(C)C)CC1.
What is the InChIKey of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide?
The InChIKey is JQSYEHLXEFIMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-13(6-2)16(20)18-9-7-14(8-10-18)17-15(19)11-12(3)4/h12-14H,5-11H2,1-4H3,(H,17,19).
What are the key properties of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide?
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide has a molecular weight of 282.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 110820033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).