[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate

C18H22N6O2 — CID 137210970

IUPAC[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1CCN(c2nc[nH]c3cnc4nccc4c23)CC1
InChIInChI=1S/C18H22N6O2/c1-11(2)23-18(25)26-12-4-7-24(8-5-12)17-15-13-3-6-19-16(13)20-9-14(15)21-10-22-17/h3,6,9-12H,4-5,7-8H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyFDUSLIZRZDDHDL-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.61
Rot. Bonds3

About [1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate

[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate (PubChem CID 137210970) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is [1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate
PubChem CID137210970
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1CCN(c2nc[nH]c3cnc4nccc4c23)CC1
InChIInChI=1S/C18H22N6O2/c1-11(2)23-18(25)26-12-4-7-24(8-5-12)17-15-13-3-6-19-16(13)20-9-14(15)21-10-22-17/h3,6,9-12H,4-5,7-8H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyFDUSLIZRZDDHDL-UHFFFAOYSA-N
XLogP2.61
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate with MolForge

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Related Compounds

[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl] N-cyclopropylcarbamate
CID 137211005
2-cyclopropyl-N-[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]propanamide
CID 137121924
[1-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-3-yl] N-propan-2-ylcarbamate
CID 137211001
6-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidine-3-carboxylic acid
CID 157213084
methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]boronamidic acid
CID 136610775
1-[propan-2-yl-[[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]carbamoyl]amino]-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 136992732
N-[1-[2-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-4-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 137211045
N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-4-yl]acetamide
CID 146106896
tert-butyl [3-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] carbonate
CID 137211000
[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 91338910
[3-[3-[(1-methylpyrazolo[5,4-c]pyridin-7-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293665
1-(3,5-dichloro-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 171992706

Frequently Asked Questions

What is the IUPAC name of [1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate?
The IUPAC name of [1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate (CID 137210970) is [1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)OC1CCN(c2nc[nH]c3cnc4nccc4c23)CC1.
What is the InChIKey of [1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate?
The InChIKey is FDUSLIZRZDDHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11(2)23-18(25)26-12-4-7-24(8-5-12)17-15-13-3-6-19-16(13)20-9-14(15)21-10-22-17/h3,6,9-12H,4-5,7-8H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of [1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate?
[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate has a molecular weight of 354.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-4-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 137210970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).