(4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone

C22H28N4O — CID 2951126

IUPAC(4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone
SMILESCN1CCN(C(=O)C23CCC(C)(c4nc5ccccc5nc42)C3(C)C)CC1
InChIInChI=1S/C22H28N4O/c1-20(2)21(3)9-10-22(20,19(27)26-13-11-25(4)12-14-26)18-17(21)23-15-7-5-6-8-16(15)24-18/h5-8H,9-14H2,1-4H3
InChIKeyKZHZSMWJRCBHFP-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.73
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone

(4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone (PubChem CID 2951126) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone
PubChem CID2951126
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name(4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone
SMILESCN1CCN(C(=O)C23CCC(C)(c4nc5ccccc5nc42)C3(C)C)CC1
InChIInChI=1S/C22H28N4O/c1-20(2)21(3)9-10-22(20,19(27)26-13-11-25(4)12-14-26)18-17(21)23-15-7-5-6-8-16(15)24-18/h5-8H,9-14H2,1-4H3
InChIKeyKZHZSMWJRCBHFP-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone (CID 2951126) is (4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone is CN1CCN(C(=O)C23CCC(C)(c4nc5ccccc5nc42)C3(C)C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone?
The InChIKey is KZHZSMWJRCBHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-20(2)21(3)9-10-22(20,19(27)26-13-11-25(4)12-14-26)18-17(21)23-15-7-5-6-8-16(15)24-18/h5-8H,9-14H2,1-4H3.
What are the key properties of (4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone?
(4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone has a molecular weight of 364.49 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone is sourced from PubChem (CID 2951126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).