1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one

C16H31N3O — CID 60677287

IUPAC1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one
SMILESCCCN1CCC(NC(C)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-9-18-12-7-15(8-13-18)17-14(2)16(20)19-10-5-4-6-11-19/h14-15,17H,3-13H2,1-2H3
InChIKeyXNKIGDLWBNNOFV-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.85
Rot. Bonds5

About 1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one

1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one (PubChem CID 60677287) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one
PubChem CID60677287
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one
SMILESCCCN1CCC(NC(C)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-9-18-12-7-15(8-13-18)17-14(2)16(20)19-10-5-4-6-11-19/h14-15,17H,3-13H2,1-2H3
InChIKeyXNKIGDLWBNNOFV-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43401252
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695761
N-ethyl-2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43400111
4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]piperidine-1-carboxamide
CID 60932505
1-piperidin-1-yl-2-[(4-propan-2-ylcyclohexyl)amino]propan-1-one
CID 62707870
N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide
CID 65074258
1-(azepan-1-yl)-2-[(3-ethylcyclohexyl)amino]propan-1-one
CID 64741045
N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine
CID 81388196
3-methyl-2-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073293

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one (CID 60677287) is 1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one is CCCN1CCC(NC(C)C(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one?
The InChIKey is XNKIGDLWBNNOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-9-18-12-7-15(8-13-18)17-14(2)16(20)19-10-5-4-6-11-19/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one?
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one is sourced from PubChem (CID 60677287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).