4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide

C16H31N3O — CID 63054348

IUPAC4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide
SMILESCC(C)(C)C1CCN(CCC(NC2CC2)C(N)=O)CC1
InChIInChI=1S/C16H31N3O/c1-16(2,3)12-6-9-19(10-7-12)11-8-14(15(17)20)18-13-4-5-13/h12-14,18H,4-11H2,1-3H3,(H2,17,20)
InChIKeyAZIWLOABIXLXRD-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.74
Rot. Bonds6

About 4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide

4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide (PubChem CID 63054348) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide.

Molecular Properties

Compound Name4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide
PubChem CID63054348
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide
SMILESCC(C)(C)C1CCN(CCC(NC2CC2)C(N)=O)CC1
InChIInChI=1S/C16H31N3O/c1-16(2,3)12-6-9-19(10-7-12)11-8-14(15(17)20)18-13-4-5-13/h12-14,18H,4-11H2,1-3H3,(H2,17,20)
InChIKeyAZIWLOABIXLXRD-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 63055622
2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide
CID 55144900
methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63054691
2-(cyclopropylamino)-4-(3-ethoxypiperidin-1-yl)butanamide
CID 63053798
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide
CID 104968607
4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide
CID 63028170
ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate
CID 63027972
4-(4-tert-butylpiperidin-1-yl)butanamide
CID 118531384
2-(cyclopropylamino)-5-(methylamino)hexanediamide
CID 66221949
2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394779
methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63971806
ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate
CID 63053623

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide?
The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide (CID 63054348) is 4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide.
What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide?
The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide is CC(C)(C)C1CCN(CCC(NC2CC2)C(N)=O)CC1.
What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide?
The InChIKey is AZIWLOABIXLXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-16(2,3)12-6-9-19(10-7-12)11-8-14(15(17)20)18-13-4-5-13/h12-14,18H,4-11H2,1-3H3,(H2,17,20).
What are the key properties of 4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide?
4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide has a molecular weight of 281.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide is sourced from PubChem (CID 63054348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).