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

C20H23FN4O2 — CID 17456278

IUPAC4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccccc2F)CC1)NCc1ccccc1
InChIInChI=1S/C20H23FN4O2/c21-17-8-4-5-9-18(17)23-20(27)25-12-10-24(11-13-25)15-19(26)22-14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,22,26)(H,23,27)
InChIKeyJYBJISLMEMWKMN-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.29
Rot. Bonds5

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

4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 17456278) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID17456278
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccccc2F)CC1)NCc1ccccc1
InChIInChI=1S/C20H23FN4O2/c21-17-8-4-5-9-18(17)23-20(27)25-12-10-24(11-13-25)15-19(26)22-14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,22,26)(H,23,27)
InChIKeyJYBJISLMEMWKMN-UHFFFAOYSA-N
XLogP2.29
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(benzylamino)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)-1,4-diazepane-1-carboxamide
CID 3800290
3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 91917768
N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110111
3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 5100018
4-[2-(benzylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 30940293
4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134052899
N-benzyl-2-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 18138118
1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 52999016
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 3238032
N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
CID 62885016
N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 6466016

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide (CID 17456278) is 4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide is O=C(CN1CCN(C(=O)Nc2ccccc2F)CC1)NCc1ccccc1.
What is the InChIKey of 4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is JYBJISLMEMWKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-17-8-4-5-9-18(17)23-20(27)25-12-10-24(11-13-25)15-19(26)22-14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,22,26)(H,23,27).
What are the key properties of 4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide?
4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 17456278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).