N-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide

C15H18N4O — CID 172798307

IUPACN-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESCN1CCCCC1CNC(=O)C1=NN=C2C1=CC1=C2C1
InChIInChI=1S/C15H18N4O/c1-19-5-3-2-4-10(19)8-16-15(20)14-12-7-9-6-11(9)13(12)17-18-14/h7,10H,2-6,8H2,1H3,(H,16,20)
InChIKeyQMVSTZBJMPHYSR-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.04
Rot. Bonds3

About N-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide

N-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (PubChem CID 172798307) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
PubChem CID172798307
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESCN1CCCCC1CNC(=O)C1=NN=C2C1=CC1=C2C1
InChIInChI=1S/C15H18N4O/c1-19-5-3-2-4-10(19)8-16-15(20)14-12-7-9-6-11(9)13(12)17-18-14/h7,10H,2-6,8H2,1H3,(H,16,20)
InChIKeyQMVSTZBJMPHYSR-UHFFFAOYSA-N
XLogP1.04
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (CID 172798307) is N-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is CN1CCCCC1CNC(=O)C1=NN=C2C1=CC1=C2C1.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The InChIKey is QMVSTZBJMPHYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19-5-3-2-4-10(19)8-16-15(20)14-12-7-9-6-11(9)13(12)17-18-14/h7,10H,2-6,8H2,1H3,(H,16,20).
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
N-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is sourced from PubChem (CID 172798307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).