4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide

C13H27N3O — CID 63028170

IUPAC4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide
SMILESCC1CCN(CCC(NC(C)C)C(N)=O)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)15-12(13(14)17)6-9-16-7-4-11(3)5-8-16/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyIVZDZSZQSCFHNP-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds6

About 4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide

4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide (PubChem CID 63028170) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide
PubChem CID63028170
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide
SMILESCC1CCN(CCC(NC(C)C)C(N)=O)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)15-12(13(14)17)6-9-16-7-4-11(3)5-8-16/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyIVZDZSZQSCFHNP-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propan-2-ylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 55145462
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide
CID 63055271
4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide
CID 65281802
methyl 2-amino-4-(4-methylazepan-1-yl)butanoate
CID 63623785
methyl 4-(azocan-1-yl)-2-(propan-2-ylamino)butanoate
CID 63027769
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466
2-methyl-4-piperidin-1-ylbutanamide
CID 23061678
4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide
CID 63028069
2-(propan-2-ylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
CID 63152635
2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide
CID 83062596
ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate
CID 63027972
4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide
CID 63054348

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide (CID 63028170) is 4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide is CC1CCN(CCC(NC(C)C)C(N)=O)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide?
The InChIKey is IVZDZSZQSCFHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)15-12(13(14)17)6-9-16-7-4-11(3)5-8-16/h10-12,15H,4-9H2,1-3H3,(H2,14,17).
What are the key properties of 4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide?
4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63028170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).