1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C22H26FN3O2 — CID 52682822

IUPAC1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCc2ccc(F)cc2)CC1)NCc1ccccc1
InChIInChI=1S/C22H26FN3O2/c23-20-8-6-18(7-9-20)15-25-22(28)19-10-12-26(13-11-19)16-21(27)24-14-17-4-2-1-3-5-17/h1-9,19H,10-16H2,(H,24,27)(H,25,28)
InChIKeyQMSNQBNWZSFNNQ-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.47
Rot. Bonds7

About 1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 52682822) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID52682822
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCc2ccc(F)cc2)CC1)NCc1ccccc1
InChIInChI=1S/C22H26FN3O2/c23-20-8-6-18(7-9-20)15-25-22(28)19-10-12-26(13-11-19)16-21(27)24-14-17-4-2-1-3-5-17/h1-9,19H,10-16H2,(H,24,27)(H,25,28)
InChIKeyQMSNQBNWZSFNNQ-UHFFFAOYSA-N
XLogP2.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 52682822) is 1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(CN1CCC(C(=O)NCc2ccc(F)cc2)CC1)NCc1ccccc1.
What is the InChIKey of 1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is QMSNQBNWZSFNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-20-8-6-18(7-9-20)15-25-22(28)19-10-12-26(13-11-19)16-21(27)24-14-17-4-2-1-3-5-17/h1-9,19H,10-16H2,(H,24,27)(H,25,28).
What are the key properties of 1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 52682822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).