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

C19H35N3O2 — CID 119755741

IUPACN-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)CC(C)C2CCNCC2)CC1
InChIInChI=1S/C19H35N3O2/c1-14(2)12-19(24)22-10-6-17(7-11-22)21-18(23)13-15(3)16-4-8-20-9-5-16/h14-17,20H,4-13H2,1-3H3,(H,21,23)
InChIKeyLWFKJNKGNLCTLB-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.17
Rot. Bonds6

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

N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide (PubChem CID 119755741) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
PubChem CID119755741
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)CC(C)C2CCNCC2)CC1
InChIInChI=1S/C19H35N3O2/c1-14(2)12-19(24)22-10-6-17(7-11-22)21-18(23)13-15(3)16-4-8-20-9-5-16/h14-17,20H,4-13H2,1-3H3,(H,21,23)
InChIKeyLWFKJNKGNLCTLB-UHFFFAOYSA-N
XLogP2.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119710904
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698231
N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride
CID 119727435
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119700558
3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
CID 110819637
N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119879223
3-piperidin-4-yl-N-(4-propylcyclohexyl)butanamide
CID 119750393
1-(4-fluorophenyl)-3-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]urea;hydrochloride
CID 119734456
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide
CID 119848199
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862946

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide (CID 119755741) is N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide is CC(C)CC(=O)N1CCC(NC(=O)CC(C)C2CCNCC2)CC1.
What is the InChIKey of N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide?
The InChIKey is LWFKJNKGNLCTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-14(2)12-19(24)22-10-6-17(7-11-22)21-18(23)13-15(3)16-4-8-20-9-5-16/h14-17,20H,4-13H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide?
N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide has a molecular weight of 337.51 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119755741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).