4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

C16H23FN4O2 — CID 52581037

IUPAC4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCCNC(=O)CN1CCN(C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN4O2/c1-2-18-15(22)12-20-6-8-21(9-7-20)16(23)19-11-13-4-3-5-14(17)10-13/h3-5,10H,2,6-9,11-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyOYHGXZZIQOFLHV-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.79
Rot. Bonds5

About 4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 52581037) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID52581037
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCCNC(=O)CN1CCN(C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN4O2/c1-2-18-15(22)12-20-6-8-21(9-7-20)16(23)19-11-13-4-3-5-14(17)10-13/h3-5,10H,2,6-9,11-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyOYHGXZZIQOFLHV-UHFFFAOYSA-N
XLogP0.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-fluorophenyl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 61196137
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
N-[(3-fluorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108898628
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 75527446
2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 62838248
N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195761
N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide
CID 38381542
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
(3S,4S)-1-[(3-fluorophenyl)methylcarbamoyl]-4-propylpyrrolidine-3-carboxylic acid
CID 72889604

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide (CID 52581037) is 4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide is CCNC(=O)CN1CCN(C(=O)NCc2cccc(F)c2)CC1.
What is the InChIKey of 4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is OYHGXZZIQOFLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-2-18-15(22)12-20-6-8-21(9-7-20)16(23)19-11-13-4-3-5-14(17)10-13/h3-5,10H,2,6-9,11-12H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 52581037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).