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

C19H26N6O — CID 647714

IUPACN-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H26N6O/c26-18(20-16-7-3-1-4-8-16)15-11-13-24(14-12-15)19-21-22-23-25(19)17-9-5-2-6-10-17/h2,5-6,9-10,15-16H,1,3-4,7-8,11-14H2,(H,20,26)
InChIKeyMJWPBNNVTIKBJL-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.33
Rot. Bonds4

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

N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (PubChem CID 647714) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
PubChem CID647714
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H26N6O/c26-18(20-16-7-3-1-4-8-16)15-11-13-24(14-12-15)19-21-22-23-25(19)17-9-5-2-6-10-17/h2,5-6,9-10,15-16H,1,3-4,7-8,11-14H2,(H,20,26)
InChIKeyMJWPBNNVTIKBJL-UHFFFAOYSA-N
XLogP2.33
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (CID 647714) is N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is O=C(NC1CCCCC1)C1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The InChIKey is MJWPBNNVTIKBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-18(20-16-7-3-1-4-8-16)15-11-13-24(14-12-15)19-21-22-23-25(19)17-9-5-2-6-10-17/h2,5-6,9-10,15-16H,1,3-4,7-8,11-14H2,(H,20,26).
What are the key properties of N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 647714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).