[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

C18H20N6O2 — CID 137211005

IUPAC[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
SMILESO=C(NC1CC1)OC1CCCN(c2nc[nH]c3cnc4nccc4c23)C1
InChIInChI=1S/C18H20N6O2/c25-18(23-11-3-4-11)26-12-2-1-7-24(9-12)17-15-13-5-6-19-16(13)20-8-14(15)21-10-22-17/h5-6,8,10-12H,1-4,7,9H2,(H,21,22)(H,23,25)
InChIKeyAODSGPNQIXTZSK-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.36
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-3-yl] N-cyclopropylcarbamate

[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 (PubChem CID 137211005) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 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-3-yl] N-cyclopropylcarbamate.

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-3-yl] N-cyclopropylcarbamate
PubChem CID137211005
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
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-3-yl] N-cyclopropylcarbamate
SMILESO=C(NC1CC1)OC1CCCN(c2nc[nH]c3cnc4nccc4c23)C1
InChIInChI=1S/C18H20N6O2/c25-18(23-11-3-4-11)26-12-2-1-7-24(9-12)17-15-13-5-6-19-16(13)20-8-14(15)21-10-22-17/h5-6,8,10-12H,1-4,7,9H2,(H,21,22)(H,23,25)
InChIKeyAODSGPNQIXTZSK-UHFFFAOYSA-N
XLogP2.36
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(5,7,10,12-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
[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
N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide
CID 174240244
[3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate
CID 137210999
methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]boronamidic acid
CID 136610775
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
N-[1-[2-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-4-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 137211045
1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 159196593
N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 137210975
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383

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-3-yl] N-cyclopropylcarbamate?
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-3-yl] N-cyclopropylcarbamate (CID 137211005) is [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.
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-3-yl] N-cyclopropylcarbamate?
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-3-yl] N-cyclopropylcarbamate is O=C(NC1CC1)OC1CCCN(c2nc[nH]c3cnc4nccc4c23)C1.
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-3-yl] N-cyclopropylcarbamate?
The InChIKey is AODSGPNQIXTZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-18(23-11-3-4-11)26-12-2-1-7-24(9-12)17-15-13-5-6-19-16(13)20-8-14(15)21-10-22-17/h5-6,8,10-12H,1-4,7,9H2,(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-3-yl] N-cyclopropylcarbamate?
[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 has a molecular weight of 352.40 g/mol, XLogP of 2.36, 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-3-yl] N-cyclopropylcarbamate is sourced from PubChem (CID 137211005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).