2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide

C12H25N3O — CID 81301265

IUPAC2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNC1CCN(C)C(C)C1
InChIInChI=1S/C12H25N3O/c1-4-6-13-12(16)9-14-11-5-7-15(3)10(2)8-11/h10-11,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyBHVCQSJXUIUUJT-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds5

About 2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide

2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide (PubChem CID 81301265) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide
PubChem CID81301265
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNC1CCN(C)C(C)C1
InChIInChI=1S/C12H25N3O/c1-4-6-13-12(16)9-14-11-5-7-15(3)10(2)8-11/h10-11,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyBHVCQSJXUIUUJT-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 112700219
4-[(1,2-dimethylpiperidin-4-yl)amino]-3-methylbut-2-enoic acid
CID 103260579
N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine
CID 81345297
2-[(4-propan-2-ylcyclohexyl)amino]-N-propylacetamide
CID 62703314
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
CID 119164761
1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 81332995
N-butyl-2-(cyclopropylamino)acetamide
CID 54773122
(2S)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906506
(2R)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906841
N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine
CID 81332844
N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695587
(2R)-2-amino-N-(1,2-dimethylpiperidin-4-yl)pentanamide
CID 103814653

Frequently Asked Questions

What is the IUPAC name of 2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide (CID 81301265) is 2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide is CCCNC(=O)CNC1CCN(C)C(C)C1.
What is the InChIKey of 2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide?
The InChIKey is BHVCQSJXUIUUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-6-13-12(16)9-14-11-5-7-15(3)10(2)8-11/h10-11,14H,4-9H2,1-3H3,(H,13,16).
What are the key properties of 2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide?
2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide is sourced from PubChem (CID 81301265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).