3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide

C15H31N3O — CID 54899224

IUPAC3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)CCNC(C)(C)C)N1CCCCC1
InChIInChI=1S/C15H31N3O/c1-13(18-10-6-5-7-11-18)12-16-14(19)8-9-17-15(2,3)4/h13,17H,5-12H2,1-4H3,(H,16,19)
InChIKeyFECDRKYUUBALJD-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.76
Rot. Bonds6

About 3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide

3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide (PubChem CID 54899224) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
PubChem CID54899224
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)CCNC(C)(C)C)N1CCCCC1
InChIInChI=1S/C15H31N3O/c1-13(18-10-6-5-7-11-18)12-16-14(19)8-9-17-15(2,3)4/h13,17H,5-12H2,1-4H3,(H,16,19)
InChIKeyFECDRKYUUBALJD-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 61276030
3-(ethylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 62836646
3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide
CID 61042831
5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107910399
3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide
CID 64599712
1-(2-piperidin-1-ylpropyl)-3-propylurea
CID 115589371
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide
CID 60851294
(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 113353389
N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957846
2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 114328963
2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid
CID 104569665

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide (CID 54899224) is 3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide is CC(CNC(=O)CCNC(C)(C)C)N1CCCCC1.
What is the InChIKey of 3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide?
The InChIKey is FECDRKYUUBALJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13(18-10-6-5-7-11-18)12-16-14(19)8-9-17-15(2,3)4/h13,17H,5-12H2,1-4H3,(H,16,19).
What are the key properties of 3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide?
3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 54899224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).