2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one

C23H33N7O2 — CID 23048781

IUPAC2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one
SMILESCCN(CC)CCCC1CCCN(C(=O)N2c3cnn(C)c3C(=O)Nc3cccnc32)C1
InChIInChI=1S/C23H33N7O2/c1-4-28(5-2)13-7-9-17-10-8-14-29(16-17)23(32)30-19-15-25-27(3)20(19)22(31)26-18-11-6-12-24-21(18)30/h6,11-12,15,17H,4-5,7-10,13-14,16H2,1-3H3,(H,26,31)
InChIKeyPZHYPXJCSYZJOW-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.47
Rot. Bonds6

About 2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one

2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one (PubChem CID 23048781) has the molecular formula C23H33N7O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one.

Molecular Properties

Compound Name2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one
PubChem CID23048781
Molecular FormulaC23H33N7O2
Molecular Weight439.56 g/mol
Exact Mass439.27
IUPAC Name2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one
SMILESCCN(CC)CCCC1CCCN(C(=O)N2c3cnn(C)c3C(=O)Nc3cccnc32)C1
InChIInChI=1S/C23H33N7O2/c1-4-28(5-2)13-7-9-17-10-8-14-29(16-17)23(32)30-19-15-25-27(3)20(19)22(31)26-18-11-6-12-24-21(18)30/h6,11-12,15,17H,4-5,7-10,13-14,16H2,1-3H3,(H,26,31)
InChIKeyPZHYPXJCSYZJOW-UHFFFAOYSA-N
XLogP3.47
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one?
The IUPAC name of 2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one (CID 23048781) is 2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one.
What is the SMILES notation for 2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one?
The canonical SMILES for 2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one is CCN(CC)CCCC1CCCN(C(=O)N2c3cnn(C)c3C(=O)Nc3cccnc32)C1.
What is the InChIKey of 2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one?
The InChIKey is PZHYPXJCSYZJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O2/c1-4-28(5-2)13-7-9-17-10-8-14-29(16-17)23(32)30-19-15-25-27(3)20(19)22(31)26-18-11-6-12-24-21(18)30/h6,11-12,15,17H,4-5,7-10,13-14,16H2,1-3H3,(H,26,31).
What are the key properties of 2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one?
2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one has a molecular weight of 439.56 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(diethylamino)propyl]piperidine-1-carbonyl]-6-methyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one is sourced from PubChem (CID 23048781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).