N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide

C13H17Cl2N3O — CID 1249136

IUPACN-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2N3O/c1-2-17-5-7-18(8-6-17)13(19)16-10-3-4-11(14)12(15)9-10/h3-4,9H,2,5-8H2,1H3,(H,16,19)
InChIKeyUAJTVRXQJNLYEL-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.16
Rot. Bonds2

About N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide

N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide (PubChem CID 1249136) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
PubChem CID1249136
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC NameN-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2N3O/c1-2-17-5-7-18(8-6-17)13(19)16-10-3-4-11(14)12(15)9-10/h3-4,9H,2,5-8H2,1H3,(H,16,19)
InChIKeyUAJTVRXQJNLYEL-UHFFFAOYSA-N
XLogP3.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
4-(cyanomethyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 60971116
N-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63310216
N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 17486743
N-(3,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561850
3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017604
[(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium
CID 6961768
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
N-(3,4-dichlorophenyl)-2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 9198085
N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108895534

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide (CID 1249136) is N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide?
The InChIKey is UAJTVRXQJNLYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-2-17-5-7-18(8-6-17)13(19)16-10-3-4-11(14)12(15)9-10/h3-4,9H,2,5-8H2,1H3,(H,16,19).
What are the key properties of N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 1249136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).