3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide

C12H25N3O — CID 60842653

IUPAC3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(N)CC(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-9(2)15-6-4-11(5-7-15)14-12(16)8-10(3)13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyYCSBDZMLUULZQH-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds4

About 3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide

3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide (PubChem CID 60842653) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
PubChem CID60842653
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(N)CC(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-9(2)15-6-4-11(5-7-15)14-12(16)8-10(3)13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyYCSBDZMLUULZQH-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-N-cyclobutylbutanamide
CID 94423965
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 54593359
3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833
4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 79200680
(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 79024824
ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate
CID 60669009
3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
CID 119863025
3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide
CID 119879163
2-amino-3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 76887361
2-(azetidin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 64618765
2-(4-methylpiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 157336758

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The IUPAC name of 3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide (CID 60842653) is 3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide.
What is the SMILES notation for 3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The canonical SMILES for 3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide is CC(N)CC(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of 3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The InChIKey is YCSBDZMLUULZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)15-6-4-11(5-7-15)14-12(16)8-10(3)13/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide is sourced from PubChem (CID 60842653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).