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

C15H31N3O — CID 83062596

IUPAC2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide
SMILESCCCC1CCCCN1CCC(NC(C)C)C(N)=O
InChIInChI=1S/C15H31N3O/c1-4-7-13-8-5-6-10-18(13)11-9-14(15(16)19)17-12(2)3/h12-14,17H,4-11H2,1-3H3,(H2,16,19)
InChIKeyIPVVATJIWFSXNU-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.88
Rot. Bonds8

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

2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide (PubChem CID 83062596) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide
PubChem CID83062596
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide
SMILESCCCC1CCCCN1CCC(NC(C)C)C(N)=O
InChIInChI=1S/C15H31N3O/c1-4-7-13-8-5-6-10-18(13)11-9-14(15(16)19)17-12(2)3/h12-14,17H,4-11H2,1-3H3,(H2,16,19)
InChIKeyIPVVATJIWFSXNU-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanamide
CID 83062215
2-amino-4-(2-propylpiperidin-1-yl)butanamide
CID 83062448
ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate
CID 83061902
methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55145067
2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
CID 83062373
2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
CID 83061908
5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine
CID 113497212
3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one
CID 83055895
4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide
CID 63028170
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide
CID 63055063
1-pentyl-2-propylpiperidine
CID 54429991
N-propan-2-yl-5-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83061777

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide?
The IUPAC name of 2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide (CID 83062596) is 2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide.
What is the SMILES notation for 2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide?
The canonical SMILES for 2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide is CCCC1CCCCN1CCC(NC(C)C)C(N)=O.
What is the InChIKey of 2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide?
The InChIKey is IPVVATJIWFSXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-7-13-8-5-6-10-18(13)11-9-14(15(16)19)17-12(2)3/h12-14,17H,4-11H2,1-3H3,(H2,16,19).
What are the key properties of 2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide?
2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide has a molecular weight of 269.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide is sourced from PubChem (CID 83062596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).