6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one

C11H18N2O — CID 11321492

IUPAC6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one
SMILESO=C1NCCCC=C1N1CCCCC1
InChIInChI=1S/C11H18N2O/c14-11-10(6-2-3-7-12-11)13-8-4-1-5-9-13/h6H,1-5,7-9H2,(H,12,14)
InChIKeyICTDWYWDPOFBFN-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.27
Rot. Bonds1

About 6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one

6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one (PubChem CID 11321492) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one.

Molecular Properties

Compound Name6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one
PubChem CID11321492
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one
SMILESO=C1NCCCC=C1N1CCCCC1
InChIInChI=1S/C11H18N2O/c14-11-10(6-2-3-7-12-11)13-8-4-1-5-9-13/h6H,1-5,7-9H2,(H,12,14)
InChIKeyICTDWYWDPOFBFN-UHFFFAOYSA-N
XLogP1.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,6-dioxo-4-(2-piperidin-1-ylethylamino)cyclohexa-1,4-dien-1-yl]acetamide
CID 137634599
2(1H)-Pyridinone, 5,6-dihydro-3-(1-piperidinyl)-
CID 12228553
Tetrahydropyrrolo[1,2-a]pyrazinone
CID 55276682
6-Amino-1,2,3,4-tetrahydroazepin-7-one
CID 126480546
(4R)-4-methyl-3,4,6,7-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 102158009
2H-Azepin-2-one, 1,5,6,7-tetrahydro-1-methyl-3-(1-piperidinyl)-
CID 12228547
2H-Pyrido[1,2-a]pyrazin-1(6H)-one,3,4,7,8-tetrahydro-(9CI)
CID 13049391
(E)-2-piperidin-1-ylpent-2-enamide
CID 17959584
6-butyl-3-piperidin-1-yl-1H-pyridin-2-one
CID 19012275
CID 45099838
CID 45099838
3-Pentylidenepiperazine-2,5-dione
CID 53405957
3,6,7,8-tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
CID 66936121

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one?
The IUPAC name of 6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one (CID 11321492) is 6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one.
What is the SMILES notation for 6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one?
The canonical SMILES for 6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one is O=C1NCCCC=C1N1CCCCC1.
What is the InChIKey of 6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one?
The InChIKey is ICTDWYWDPOFBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11-10(6-2-3-7-12-11)13-8-4-1-5-9-13/h6H,1-5,7-9H2,(H,12,14).
What are the key properties of 6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one?
6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one has a molecular weight of 194.28 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-1,2,3,4-tetrahydroazepin-7-one is sourced from PubChem (CID 11321492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).