3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide

C15H31N3O — CID 60851294

IUPAC3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCCCN1CCCCC1
InChIInChI=1S/C15H31N3O/c1-15(2,3)17-10-8-14(19)16-9-7-13-18-11-5-4-6-12-18/h17H,4-13H2,1-3H3,(H,16,19)
InChIKeyNYCLHFYHNURBQO-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.76
Rot. Bonds7

About 3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide

3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide (PubChem CID 60851294) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide
PubChem CID60851294
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCCCN1CCCCC1
InChIInChI=1S/C15H31N3O/c1-15(2,3)17-10-8-14(19)16-9-7-13-18-11-5-4-6-12-18/h17H,4-13H2,1-3H3,(H,16,19)
InChIKeyNYCLHFYHNURBQO-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593
3-chloro-N-(3-piperidin-1-ylpropyl)propanamide
CID 43346643
5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 43579827
3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 62933528
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 60843500
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide
CID 119391257
2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 114327405
3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 54899224
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide (CID 60851294) is 3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide is CC(C)(C)NCCC(=O)NCCCN1CCCCC1.
What is the InChIKey of 3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide?
The InChIKey is NYCLHFYHNURBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(2,3)17-10-8-14(19)16-9-7-13-18-11-5-4-6-12-18/h17H,4-13H2,1-3H3,(H,16,19).
What are the key properties of 3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide?
3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 60851294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).