3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one

C14H28N2O — CID 112554126

IUPAC3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one
SMILESCCCC(C)CNCCC(=O)N1CCCCC1
InChIInChI=1S/C14H28N2O/c1-3-7-13(2)12-15-9-8-14(17)16-10-5-4-6-11-16/h13,15H,3-12H2,1-2H3
InChIKeyANXNKNFDXDSPGV-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds7

About 3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one

3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 112554126) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID112554126
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one
SMILESCCCC(C)CNCCC(=O)N1CCCCC1
InChIInChI=1S/C14H28N2O/c1-3-7-13(2)12-15-9-8-14(17)16-10-5-4-6-11-16/h13,15H,3-12H2,1-2H3
InChIKeyANXNKNFDXDSPGV-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203515
1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
5-methyl-1-pyrrolidin-1-yloctan-1-one
CID 168981968
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 113263956
1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone
CID 62691599
3-(2-methylpentylamino)-N-propan-2-ylpropanamide
CID 115904706
3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683120
3-(heptan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112700170
N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 115586639
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone
CID 65036162
1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one
CID 109012745

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one (CID 112554126) is 3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one is CCCC(C)CNCCC(=O)N1CCCCC1.
What is the InChIKey of 3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is ANXNKNFDXDSPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-7-13(2)12-15-9-8-14(17)16-10-5-4-6-11-16/h13,15H,3-12H2,1-2H3.
What are the key properties of 3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one?
3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 112554126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).