4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide

C21H26ClN3O2 — CID 60600515

IUPAC4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCCOc1cccc(C(C)NC(=O)N2CCN(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C21H26ClN3O2/c1-3-27-18-8-6-7-17(15-18)16(2)23-21(26)25-13-11-24(12-14-25)20-10-5-4-9-19(20)22/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyLHXCRYUATKDVDX-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.33
Rot. Bonds5

About 4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide

4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 60600515) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID60600515
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCCOc1cccc(C(C)NC(=O)N2CCN(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C21H26ClN3O2/c1-3-27-18-8-6-7-17(15-18)16(2)23-21(26)25-13-11-24(12-14-25)20-10-5-4-9-19(20)22/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyLHXCRYUATKDVDX-UHFFFAOYSA-N
XLogP4.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
CID 88910072
1-[[(1S)-1-(3-phenylmethoxyphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011906
4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673043
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111432554
trans-(1S,2S)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132003
5-[1-(3-ethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685225
4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122030841
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965
N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107350
(3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 95019921

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide (CID 60600515) is 4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide is CCOc1cccc(C(C)NC(=O)N2CCN(c3ccccc3Cl)CC2)c1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is LHXCRYUATKDVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-3-27-18-8-6-7-17(15-18)16(2)23-21(26)25-13-11-24(12-14-25)20-10-5-4-9-19(20)22/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,26).
What are the key properties of 4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[1-(3-ethoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 60600515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).