4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide

C13H27N3O2 — CID 103898924

IUPAC4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide
SMILESCC(C)(CCCO)CNC1CCN(C(N)=O)CC1
InChIInChI=1S/C13H27N3O2/c1-13(2,6-3-9-17)10-15-11-4-7-16(8-5-11)12(14)18/h11,15,17H,3-10H2,1-2H3,(H2,14,18)
InChIKeyZPYYRZIJUPQOJX-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.92
Rot. Bonds6

About 4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide

4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide (PubChem CID 103898924) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide
PubChem CID103898924
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide
SMILESCC(C)(CCCO)CNC1CCN(C(N)=O)CC1
InChIInChI=1S/C13H27N3O2/c1-13(2,6-3-9-17)10-15-11-4-7-16(8-5-11)12(14)18/h11,15,17H,3-10H2,1-2H3,(H2,14,18)
InChIKeyZPYYRZIJUPQOJX-UHFFFAOYSA-N
XLogP0.92
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-hydroxypentylamino)piperidine-1-carboxamide
CID 107302971
tert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate
CID 103948891
4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide
CID 81339135
5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile
CID 113242345
4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol
CID 135393428
4-[(2-amino-2-oxoethyl)amino]piperidine-1-carboxamide
CID 43754739
5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol
CID 106144752
4-(hexylamino)piperidine-1-carboxamide
CID 43769692
4-[3-(diethylamino)propylamino]piperidine-1-carboxamide
CID 43763196
4-(methylamino)piperidine-1-carboxamide
CID 43754889
4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidine-1-carboxamide
CID 113352679
tert-butyl 3-(2,2-dimethylheptylamino)pyrrolidine-1-carboxylate
CID 103820994

Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide?
The IUPAC name of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide (CID 103898924) is 4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide is CC(C)(CCCO)CNC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide?
The InChIKey is ZPYYRZIJUPQOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,6-3-9-17)10-15-11-4-7-16(8-5-11)12(14)18/h11,15,17H,3-10H2,1-2H3,(H2,14,18).
What are the key properties of 4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide?
4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 103898924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).