5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile

C14H25N3O — CID 113242345

IUPAC5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile
SMILESCC(=O)N1CCC(NCC(C)(C)CCC#N)CC1
InChIInChI=1S/C14H25N3O/c1-12(18)17-9-5-13(6-10-17)16-11-14(2,3)7-4-8-15/h13,16H,4-7,9-11H2,1-3H3
InChIKeyGAZINVDUJNDXQY-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.92
Rot. Bonds5

About 5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile

5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile (PubChem CID 113242345) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile
PubChem CID113242345
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile
SMILESCC(=O)N1CCC(NCC(C)(C)CCC#N)CC1
InChIInChI=1S/C14H25N3O/c1-12(18)17-9-5-13(6-10-17)16-11-14(2,3)7-4-8-15/h13,16H,4-7,9-11H2,1-3H3
InChIKeyGAZINVDUJNDXQY-UHFFFAOYSA-N
XLogP1.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopentylamino)-4,4-dimethylpentanenitrile
CID 115910566
5-(cyclohexylamino)-4,4-dimethylpentanenitrile
CID 115651344
4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile
CID 115652659
5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile
CID 115652692
4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide
CID 103898924
1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone
CID 103529328
3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile
CID 60665962
4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile
CID 86796204
5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile
CID 115652002
2-[(1-acetylpiperidin-4-yl)amino]acetic acid
CID 22034312
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate
CID 104953969
3-[(1-acetylpiperidin-4-yl)amino]propanamide
CID 43224982

Frequently Asked Questions

What is the IUPAC name of 5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile?
The IUPAC name of 5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile (CID 113242345) is 5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile is CC(=O)N1CCC(NCC(C)(C)CCC#N)CC1.
What is the InChIKey of 5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile?
The InChIKey is GAZINVDUJNDXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(18)17-9-5-13(6-10-17)16-11-14(2,3)7-4-8-15/h13,16H,4-7,9-11H2,1-3H3.
What are the key properties of 5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile?
5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile has a molecular weight of 251.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile is sourced from PubChem (CID 113242345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).