N-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide

C20H21FN6O — CID 43815699

IUPACN-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C20H21FN6O/c21-18-9-5-4-6-16(18)14-22-19(28)15-10-12-26(13-11-15)20-23-24-25-27(20)17-7-2-1-3-8-17/h1-9,15H,10-14H2,(H,22,28)
InChIKeyMTCICXRODRNRSQ-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.33
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide

N-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (PubChem CID 43815699) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
PubChem CID43815699
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C20H21FN6O/c21-18-9-5-4-6-16(18)14-22-19(28)15-10-12-26(13-11-15)20-23-24-25-27(20)17-7-2-1-3-8-17/h1-9,15H,10-14H2,(H,22,28)
InChIKeyMTCICXRODRNRSQ-UHFFFAOYSA-N
XLogP2.33
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
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-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (CID 43815699) is N-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is O=C(NCc1ccccc1F)C1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The InChIKey is MTCICXRODRNRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-18-9-5-4-6-16(18)14-22-19(28)15-10-12-26(13-11-15)20-23-24-25-27(20)17-7-2-1-3-8-17/h1-9,15H,10-14H2,(H,22,28).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
N-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43815699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).