4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile

C15H27N3O — CID 140912298

IUPAC4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile
SMILESCC(C)CC(=O)N1CCC(N(C)CCCC#N)CC1
InChIInChI=1S/C15H27N3O/c1-13(2)12-15(19)18-10-6-14(7-11-18)17(3)9-5-4-8-16/h13-14H,4-7,9-12H2,1-3H3
InChIKeyGTJOTRAPEGJEEC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.26
Rot. Bonds6

About 4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile

4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile (PubChem CID 140912298) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile.

Molecular Properties

Compound Name4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile
PubChem CID140912298
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile
SMILESCC(C)CC(=O)N1CCC(N(C)CCCC#N)CC1
InChIInChI=1S/C15H27N3O/c1-13(2)12-15(19)18-10-6-14(7-11-18)17(3)9-5-4-8-16/h13-14H,4-7,9-12H2,1-3H3
InChIKeyGTJOTRAPEGJEEC-UHFFFAOYSA-N
XLogP2.26
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-aminocyclohexyl)-methylamino]butanenitrile
CID 79121422
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 70657702
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
3-methyl-1-(3-methylbutanoyl)azetidine-3-carbonitrile
CID 130917722
1-[3-(dimethylamino)azetidin-1-yl]-3-methylbutan-1-one
CID 134459250
4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile
CID 61018157
1-(3-methylbutanoyl)azetidine-3-carbonitrile
CID 118034293
3-methyl-N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]butanamide
CID 110442144
4-[methyl(pyrrolidin-3-yl)amino]butanenitrile
CID 63301779
3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile
CID 58641605
1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone
CID 70287860

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile?
The IUPAC name of 4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile (CID 140912298) is 4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile.
What is the SMILES notation for 4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile?
The canonical SMILES for 4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile is CC(C)CC(=O)N1CCC(N(C)CCCC#N)CC1.
What is the InChIKey of 4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile?
The InChIKey is GTJOTRAPEGJEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13(2)12-15(19)18-10-6-14(7-11-18)17(3)9-5-4-8-16/h13-14H,4-7,9-12H2,1-3H3.
What are the key properties of 4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile?
4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile has a molecular weight of 265.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[1-(3-methylbutanoyl)piperidin-4-yl]amino]butanenitrile is sourced from PubChem (CID 140912298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).