2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide

C16H33N3O — CID 103501950

IUPAC2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide
SMILESCC(C)NC(C)(CCN1CCC(C(C)C)CC1)C(N)=O
InChIInChI=1S/C16H33N3O/c1-12(2)14-6-9-19(10-7-14)11-8-16(5,15(17)20)18-13(3)4/h12-14,18H,6-11H2,1-5H3,(H2,17,20)
InChIKeyIGYQDMIFWUWSRQ-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.99
Rot. Bonds7

About 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide

2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide (PubChem CID 103501950) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide
PubChem CID103501950
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide
SMILESCC(C)NC(C)(CCN1CCC(C(C)C)CC1)C(N)=O
InChIInChI=1S/C16H33N3O/c1-12(2)14-6-9-19(10-7-14)11-8-16(5,15(17)20)18-13(3)4/h12-14,18H,6-11H2,1-5H3,(H2,17,20)
InChIKeyIGYQDMIFWUWSRQ-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 103502105
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
CID 65281752
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
CID 102966479
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid
CID 62205065
2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(propan-2-ylamino)propanamide
CID 79175461
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide
CID 64726163
4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
CID 55155364
2-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(propan-2-ylamino)butanoic acid
CID 79163904
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 63158993
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide
CID 62778180
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 107401191

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide (CID 103501950) is 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide is CC(C)NC(C)(CCN1CCC(C(C)C)CC1)C(N)=O.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide?
The InChIKey is IGYQDMIFWUWSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-12(2)14-6-9-19(10-7-14)11-8-16(5,15(17)20)18-13(3)4/h12-14,18H,6-11H2,1-5H3,(H2,17,20).
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide?
2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide has a molecular weight of 283.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide is sourced from PubChem (CID 103501950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).