piperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone

C14H15N5O — CID 58558107

IUPACpiperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone
SMILESO=C(c1cnc2cnc3[nH]ccc3n12)N1CCCCC1
InChIInChI=1S/C14H15N5O/c20-14(18-6-2-1-3-7-18)11-8-16-12-9-17-13-10(19(11)12)4-5-15-13/h4-5,8-9,15H,1-3,6-7H2
InChIKeyNHSZYKMIOONWHM-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.84
Rot. Bonds1

About piperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone

piperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone (PubChem CID 58558107) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is piperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone
PubChem CID58558107
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Namepiperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone
SMILESO=C(c1cnc2cnc3[nH]ccc3n12)N1CCCCC1
InChIInChI=1S/C14H15N5O/c20-14(18-6-2-1-3-7-18)11-8-16-12-9-17-13-10(19(11)12)4-5-15-13/h4-5,8-9,15H,1-3,6-7H2
InChIKeyNHSZYKMIOONWHM-UHFFFAOYSA-N
XLogP1.84
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone?
The IUPAC name of piperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone (CID 58558107) is piperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone.
What is the SMILES notation for piperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone?
The canonical SMILES for piperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone is O=C(c1cnc2cnc3[nH]ccc3n12)N1CCCCC1.
What is the InChIKey of piperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone?
The InChIKey is NHSZYKMIOONWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-14(18-6-2-1-3-7-18)11-8-16-12-9-17-13-10(19(11)12)4-5-15-13/h4-5,8-9,15H,1-3,6-7H2.
What are the key properties of piperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone?
piperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone has a molecular weight of 269.31 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)methanone is sourced from PubChem (CID 58558107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).