N-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine

C20H21N7 — CID 46929281

IUPACN-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine
SMILESc1cnc2c(c1)-c1nc(NCC3CCNCC3)ncc1-c1ccncc1N2
InChIInChI=1S/C20H21N7/c1-2-15-18-16(14-5-9-22-12-17(14)26-19(15)23-6-1)11-25-20(27-18)24-10-13-3-7-21-8-4-13/h1-2,5-6,9,11-13,21H,3-4,7-8,10H2,(H,23,26)(H,24,25,27)
InChIKeyBZOXBQOGOVMONT-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.07
Rot. Bonds3

About N-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine

N-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine (PubChem CID 46929281) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine
PubChem CID46929281
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC NameN-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine
SMILESc1cnc2c(c1)-c1nc(NCC3CCNCC3)ncc1-c1ccncc1N2
InChIInChI=1S/C20H21N7/c1-2-15-18-16(14-5-9-22-12-17(14)26-19(15)23-6-1)11-25-20(27-18)24-10-13-3-7-21-8-4-13/h1-2,5-6,9,11-13,21H,3-4,7-8,10H2,(H,23,26)(H,24,25,27)
InChIKeyBZOXBQOGOVMONT-UHFFFAOYSA-N
XLogP3.07
TPSA87.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine (CID 46929281) is N-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine is c1cnc2c(c1)-c1nc(NCC3CCNCC3)ncc1-c1ccncc1N2.
What is the InChIKey of N-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine?
The InChIKey is BZOXBQOGOVMONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-2-15-18-16(14-5-9-22-12-17(14)26-19(15)23-6-1)11-25-20(27-18)24-10-13-3-7-21-8-4-13/h1-2,5-6,9,11-13,21H,3-4,7-8,10H2,(H,23,26)(H,24,25,27).
What are the key properties of N-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine?
N-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine has a molecular weight of 359.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine is sourced from PubChem (CID 46929281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).