N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide

C18H33N3O2 — CID 119710904

IUPACN-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
SMILESCC(C)C(=O)N1CCC(NC(=O)CC(C)C2CCNCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-13(2)18(23)21-10-6-16(7-11-21)20-17(22)12-14(3)15-4-8-19-9-5-15/h13-16,19H,4-12H2,1-3H3,(H,20,22)
InChIKeyIIQYGRYXYJVNGI-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.78
Rot. Bonds5

About N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide

N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide (PubChem CID 119710904) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
PubChem CID119710904
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
SMILESCC(C)C(=O)N1CCC(NC(=O)CC(C)C2CCNCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-13(2)18(23)21-10-6-16(7-11-21)20-17(22)12-14(3)15-4-8-19-9-5-15/h13-16,19H,4-12H2,1-3H3,(H,20,22)
InChIKeyIIQYGRYXYJVNGI-UHFFFAOYSA-N
XLogP1.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119755741
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862946
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119700558
N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119879223
3-piperidin-4-yl-N-(4-propylcyclohexyl)butanamide
CID 119750393
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide
CID 119848199
N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 55149500
3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119775867
N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698231
N-(1-methyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119782040
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119789629

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide (CID 119710904) is N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide is CC(C)C(=O)N1CCC(NC(=O)CC(C)C2CCNCC2)CC1.
What is the InChIKey of N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide?
The InChIKey is IIQYGRYXYJVNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-13(2)18(23)21-10-6-16(7-11-21)20-17(22)12-14(3)15-4-8-19-9-5-15/h13-16,19H,4-12H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide?
N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide has a molecular weight of 323.48 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119710904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).