N-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide

C23H31ClN4O — CID 59285305

IUPACN-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCCn2c3c(c4cc(Cl)ccc42)C2CCC(C3)N2C)CC1
InChIInChI=1S/C23H31ClN4O/c1-26-10-7-15(8-11-26)23(29)25-9-12-28-19-5-3-16(24)13-18(19)22-20-6-4-17(27(20)2)14-21(22)28/h3,5,13,15,17,20H,4,6-12,14H2,1-2H3,(H,25,29)
InChIKeyUGDPZZJRZVGVIS-UHFFFAOYSA-N
MW414.98 g/mol
LogP3.44
Rot. Bonds4

About N-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide

N-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide (PubChem CID 59285305) has the molecular formula C23H31ClN4O and a molecular weight of 414.98 g/mol. Its IUPAC name is N-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide
PubChem CID59285305
Molecular FormulaC23H31ClN4O
Molecular Weight414.98 g/mol
Exact Mass414.22
IUPAC NameN-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCCn2c3c(c4cc(Cl)ccc42)C2CCC(C3)N2C)CC1
InChIInChI=1S/C23H31ClN4O/c1-26-10-7-15(8-11-26)23(29)25-9-12-28-19-5-3-16(24)13-18(19)22-20-6-4-17(27(20)2)14-21(22)28/h3,5,13,15,17,20H,4,6-12,14H2,1-2H3,(H,25,29)
InChIKeyUGDPZZJRZVGVIS-UHFFFAOYSA-N
XLogP3.44
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide (CID 59285305) is N-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NCCn2c3c(c4cc(Cl)ccc42)C2CCC(C3)N2C)CC1.
What is the InChIKey of N-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is UGDPZZJRZVGVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O/c1-26-10-7-15(8-11-26)23(29)25-9-12-28-19-5-3-16(24)13-18(19)22-20-6-4-17(27(20)2)14-21(22)28/h3,5,13,15,17,20H,4,6-12,14H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide?
N-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 414.98 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)ethyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 59285305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).