N-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide

C21H30N6O — CID 24793485

IUPACN-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(c3c4c(nc5ncnn35)CCC4)CC2)CC1
InChIInChI=1S/C21H30N6O/c1-14-5-7-16(8-6-14)24-19(28)15-9-11-26(12-10-15)20-17-3-2-4-18(17)25-21-22-13-23-27(20)21/h13-16H,2-12H2,1H3,(H,24,28)
InChIKeyKTWRXORSWNZGTB-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.52
Rot. Bonds3

About N-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide

N-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide (PubChem CID 24793485) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide
PubChem CID24793485
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(c3c4c(nc5ncnn35)CCC4)CC2)CC1
InChIInChI=1S/C21H30N6O/c1-14-5-7-16(8-6-14)24-19(28)15-9-11-26(12-10-15)20-17-3-2-4-18(17)25-21-22-13-23-27(20)21/h13-16H,2-12H2,1H3,(H,24,28)
InChIKeyKTWRXORSWNZGTB-UHFFFAOYSA-N
XLogP2.52
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide
CID 43816965
N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide
CID 43816956
tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)piperazine-1-carboxylate
CID 46096757
N-cyclopropyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 166602280
(3S)-N-(3-chloro-4-methylphenyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-3-carboxamide
CID 7407428
5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017019
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 43816924
1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 20882807
6-methyl-9-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
CID 655877
N-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 51364176
(3S)-N-cyclopentyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51687580
2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 50800634

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide (CID 24793485) is N-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide is CC1CCC(NC(=O)C2CCN(c3c4c(nc5ncnn35)CCC4)CC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide?
The InChIKey is KTWRXORSWNZGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-14-5-7-16(8-6-14)24-19(28)15-9-11-26(12-10-15)20-17-3-2-4-18(17)25-21-22-13-23-27(20)21/h13-16H,2-12H2,1H3,(H,24,28).
What are the key properties of N-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide?
N-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 24793485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).