piperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone

C15H21N3O — CID 79156252

IUPACpiperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
SMILESO=C(N1CCCCC1)N1CCCNc2ccccc21
InChIInChI=1S/C15H21N3O/c19-15(17-10-4-1-5-11-17)18-12-6-9-16-13-7-2-3-8-14(13)18/h2-3,7-8,16H,1,4-6,9-12H2
InChIKeyYKKMNHZKLGASJT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.91
Rot. Bonds

About piperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone

piperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone (PubChem CID 79156252) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is piperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
PubChem CID79156252
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Namepiperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
SMILESO=C(N1CCCCC1)N1CCCNc2ccccc21
InChIInChI=1S/C15H21N3O/c19-15(17-10-4-1-5-11-17)18-12-6-9-16-13-7-2-3-8-14(13)18/h2-3,7-8,16H,1,4-6,9-12H2
InChIKeyYKKMNHZKLGASJT-UHFFFAOYSA-N
XLogP2.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone?
The IUPAC name of piperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone (CID 79156252) is piperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone.
What is the SMILES notation for piperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone?
The canonical SMILES for piperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone is O=C(N1CCCCC1)N1CCCNc2ccccc21.
What is the InChIKey of piperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone?
The InChIKey is YKKMNHZKLGASJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(17-10-4-1-5-11-17)18-12-6-9-16-13-7-2-3-8-14(13)18/h2-3,7-8,16H,1,4-6,9-12H2.
What are the key properties of piperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone?
piperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone is sourced from PubChem (CID 79156252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).