2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide

C23H26FN7O2 — CID 3232501

IUPAC2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1cccc(F)c1)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H26FN7O2/c1-16(32)25-21(15-17-6-5-7-18(24)14-17)22(33)26-19-10-12-30(13-11-19)23-27-28-29-31(23)20-8-3-2-4-9-20/h2-9,14,19,21H,10-13,15H2,1H3,(H,25,32)(H,26,33)
InChIKeyXLFAEOKBRXPNBY-UHFFFAOYSA-N
MW451.51 g/mol
LogP1.63
Rot. Bonds7

About 2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide

2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide (PubChem CID 3232501) has the molecular formula C23H26FN7O2 and a molecular weight of 451.51 g/mol. Its IUPAC name is 2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
PubChem CID3232501
Molecular FormulaC23H26FN7O2
Molecular Weight451.51 g/mol
Exact Mass451.21
IUPAC Name2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1cccc(F)c1)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H26FN7O2/c1-16(32)25-21(15-17-6-5-7-18(24)14-17)22(33)26-19-10-12-30(13-11-19)23-27-28-29-31(23)20-8-3-2-4-9-20/h2-9,14,19,21H,10-13,15H2,1H3,(H,25,32)(H,26,33)
InChIKeyXLFAEOKBRXPNBY-UHFFFAOYSA-N
XLogP1.63
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 7407157
(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 7407153
(2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide
CID 91780032
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
CID 6487306
2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
CID 155901689
N-(3-fluorophenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 9338225
4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 6487275
3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 48862621
(2S)-2-acetamido-3-(3-methylphenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide
CID 7451750
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
3-(3-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119561159

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide (CID 3232501) is 2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide is CC(=O)NC(Cc1cccc(F)c1)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The InChIKey is XLFAEOKBRXPNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O2/c1-16(32)25-21(15-17-6-5-7-18(24)14-17)22(33)26-19-10-12-30(13-11-19)23-27-28-29-31(23)20-8-3-2-4-9-20/h2-9,14,19,21H,10-13,15H2,1H3,(H,25,32)(H,26,33).
What are the key properties of 2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide has a molecular weight of 451.51 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 3232501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).