(2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide

C15H18FN7O2 — CID 95706926

IUPAC(2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H]1CNCCN1C(=O)CCn1cnnn1
InChIInChI=1S/C15H18FN7O2/c16-11-1-3-12(4-2-11)19-15(25)13-9-17-6-8-23(13)14(24)5-7-22-10-18-20-21-22/h1-4,10,13,17H,5-9H2,(H,19,25)/t13-/m0/s1
InChIKeySTPKIAKSDISCEX-ZDUSSCGKSA-N
MW347.35 g/mol
LogP-0.36
Rot. Bonds5

About (2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide

(2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide (PubChem CID 95706926) has the molecular formula C15H18FN7O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide
PubChem CID95706926
Molecular FormulaC15H18FN7O2
Molecular Weight347.35 g/mol
Exact Mass347.15
IUPAC Name(2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H]1CNCCN1C(=O)CCn1cnnn1
InChIInChI=1S/C15H18FN7O2/c16-11-1-3-12(4-2-11)19-15(25)13-9-17-6-8-23(13)14(24)5-7-22-10-18-20-21-22/h1-4,10,13,17H,5-9H2,(H,19,25)/t13-/m0/s1
InChIKeySTPKIAKSDISCEX-ZDUSSCGKSA-N
XLogP-0.36
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide (CID 95706926) is (2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide is O=C(Nc1ccc(F)cc1)[C@@H]1CNCCN1C(=O)CCn1cnnn1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide?
The InChIKey is STPKIAKSDISCEX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FN7O2/c16-11-1-3-12(4-2-11)19-15(25)13-9-17-6-8-23(13)14(24)5-7-22-10-18-20-21-22/h1-4,10,13,17H,5-9H2,(H,19,25)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide?
(2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide has a molecular weight of 347.35 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-1-[3-(tetrazol-1-yl)propanoyl]piperazine-2-carboxamide is sourced from PubChem (CID 95706926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).