4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide

C21H28N4O2 — CID 38381542

IUPAC4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide
SMILESCCNC(=O)CN1CCN(C(=O)NCCc2cccc3ccccc23)CC1
InChIInChI=1S/C21H28N4O2/c1-2-22-20(26)16-24-12-14-25(15-13-24)21(27)23-11-10-18-8-5-7-17-6-3-4-9-19(17)18/h3-9H,2,10-16H2,1H3,(H,22,26)(H,23,27)
InChIKeyMSJNLSPFXANLLN-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.85
Rot. Bonds6

About 4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide

4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide (PubChem CID 38381542) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide
PubChem CID38381542
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide
SMILESCCNC(=O)CN1CCN(C(=O)NCCc2cccc3ccccc23)CC1
InChIInChI=1S/C21H28N4O2/c1-2-22-20(26)16-24-12-14-25(15-13-24)21(27)23-11-10-18-8-5-7-17-6-3-4-9-19(17)18/h3-9H,2,10-16H2,1H3,(H,22,26)(H,23,27)
InChIKeyMSJNLSPFXANLLN-UHFFFAOYSA-N
XLogP1.85
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 6468013
3-(diethylamino)-N-(2-naphthalen-1-ylethyl)azetidine-1-carboxamide
CID 69061729
N'-methyl-N-(2-naphthalen-1-ylethyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111367076
2-[4-[N-ethyl-N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111412201
4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 52581037
N-(2-methoxyethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 31001505
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 38151040
(2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8804679
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide
CID 90670904
3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115139376
ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate
CID 94112463

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide (CID 38381542) is 4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide is CCNC(=O)CN1CCN(C(=O)NCCc2cccc3ccccc23)CC1.
What is the InChIKey of 4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is MSJNLSPFXANLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-2-22-20(26)16-24-12-14-25(15-13-24)21(27)23-11-10-18-8-5-7-17-6-3-4-9-19(17)18/h3-9H,2,10-16H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide?
4-[2-(ethylamino)-2-oxoethyl]-N-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 1.85, 6 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-(2-naphthalen-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 38381542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).