3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one

C15H28N2O — CID 107007094

IUPAC3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one
SMILESC=CCCCCCNCCC(=O)N1CCCCC1
InChIInChI=1S/C15H28N2O/c1-2-3-4-5-7-11-16-12-10-15(18)17-13-8-6-9-14-17/h2,16H,1,3-14H2
InChIKeyCCJSGPHXOBGTSP-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.72
Rot. Bonds9

About 3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one

3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 107007094) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID107007094
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one
SMILESC=CCCCCCNCCC(=O)N1CCCCC1
InChIInChI=1S/C15H28N2O/c1-2-3-4-5-7-11-16-12-10-15(18)17-13-8-6-9-14-17/h2,16H,1,3-14H2
InChIKeyCCJSGPHXOBGTSP-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821
3-(hept-6-enylamino)propanamide
CID 107006585
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 112685112
3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 104581836
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 113411347
3-(hept-6-enylamino)-N-propan-2-ylpropanamide
CID 107007090
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919
N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 61251523
3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one
CID 112686467

Frequently Asked Questions

What is the IUPAC name of 3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one (CID 107007094) is 3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one is C=CCCCCCNCCC(=O)N1CCCCC1.
What is the InChIKey of 3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is CCJSGPHXOBGTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-3-4-5-7-11-16-12-10-15(18)17-13-8-6-9-14-17/h2,16H,1,3-14H2.
What are the key properties of 3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one?
3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 107007094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).