N-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide

C20H29N7O — CID 70881010

IUPACN-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide
SMILESO=C(NCC1CCNCC1)C1CN(c2c3c(nc4ccnn24)CCNCC3)C1
InChIInChI=1S/C20H29N7O/c28-19(23-11-14-1-6-21-7-2-14)15-12-26(13-15)20-16-3-8-22-9-4-17(16)25-18-5-10-24-27(18)20/h5,10,14-15,21-22H,1-4,6-9,11-13H2,(H,23,28)
InChIKeyVZVHZRVKKJIXOZ-UHFFFAOYSA-N
MW383.50 g/mol
LogP-0.03
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide

N-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide (PubChem CID 70881010) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide
PubChem CID70881010
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC NameN-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide
SMILESO=C(NCC1CCNCC1)C1CN(c2c3c(nc4ccnn24)CCNCC3)C1
InChIInChI=1S/C20H29N7O/c28-19(23-11-14-1-6-21-7-2-14)15-12-26(13-15)20-16-3-8-22-9-4-17(16)25-18-5-10-24-27(18)20/h5,10,14-15,21-22H,1-4,6-9,11-13H2,(H,23,28)
InChIKeyVZVHZRVKKJIXOZ-UHFFFAOYSA-N
XLogP-0.03
TPSA86.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide (CID 70881010) is N-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide is O=C(NCC1CCNCC1)C1CN(c2c3c(nc4ccnn24)CCNCC3)C1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide?
The InChIKey is VZVHZRVKKJIXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c28-19(23-11-14-1-6-21-7-2-14)15-12-26(13-15)20-16-3-8-22-9-4-17(16)25-18-5-10-24-27(18)20/h5,10,14-15,21-22H,1-4,6-9,11-13H2,(H,23,28).
What are the key properties of N-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide?
N-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide has a molecular weight of 383.50 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidine-3-carboxamide is sourced from PubChem (CID 70881010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).