1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C23H26N6O — CID 653790

IUPAC1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H26N6O/c30-22(24-21-12-6-8-17-7-4-5-11-20(17)21)18-13-15-28(16-14-18)23-25-26-27-29(23)19-9-2-1-3-10-19/h1-3,6,8-10,12,18H,4-5,7,11,13-16H2,(H,24,30)
InChIKeyWHHZCRZFWLJFQY-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.40
Rot. Bonds4

About 1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (PubChem CID 653790) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
PubChem CID653790
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H26N6O/c30-22(24-21-12-6-8-17-7-4-5-11-20(17)21)18-13-15-28(16-14-18)23-25-26-27-29(23)19-9-2-1-3-10-19/h1-3,6,8-10,12,18H,4-5,7,11,13-16H2,(H,24,30)
InChIKeyWHHZCRZFWLJFQY-UHFFFAOYSA-N
XLogP3.40
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (CID 653790) is 1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is O=C(Nc1cccc2c1CCCC2)C1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The InChIKey is WHHZCRZFWLJFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c30-22(24-21-12-6-8-17-7-4-5-11-20(17)21)18-13-15-28(16-14-18)23-25-26-27-29(23)19-9-2-1-3-10-19/h1-3,6,8-10,12,18H,4-5,7,11,13-16H2,(H,24,30).
What are the key properties of 1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 653790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).