N-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide

C23H30N6O — CID 43815693

IUPACN-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H30N6O/c30-21(24-23-13-16-10-17(14-23)12-18(11-16)15-23)19-6-8-28(9-7-19)22-25-26-27-29(22)20-4-2-1-3-5-20/h1-5,16-19H,6-15H2,(H,24,30)
InChIKeySSCMHJAPMJWRIT-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.96
Rot. Bonds4

About N-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide

N-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (PubChem CID 43815693) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
PubChem CID43815693
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H30N6O/c30-21(24-23-13-16-10-17(14-23)12-18(11-16)15-23)19-6-8-28(9-7-19)22-25-26-27-29(22)20-4-2-1-3-5-20/h1-5,16-19H,6-15H2,(H,24,30)
InChIKeySSCMHJAPMJWRIT-UHFFFAOYSA-N
XLogP2.96
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (CID 43815693) is N-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of N-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The InChIKey is SSCMHJAPMJWRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c30-21(24-23-13-16-10-17(14-23)12-18(11-16)15-23)19-6-8-28(9-7-19)22-25-26-27-29(22)20-4-2-1-3-5-20/h1-5,16-19H,6-15H2,(H,24,30).
What are the key properties of N-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
N-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43815693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).