N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide

C14H20ClN3O2 — CID 108988526

IUPACN-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3O2/c1-3-17-6-8-18(9-7-17)14(19)16-11-4-5-13(20-2)12(15)10-11/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)
InChIKeyXLPMGSDGPVQRCS-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.52
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide

N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide (PubChem CID 108988526) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
PubChem CID108988526
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3O2/c1-3-17-6-8-18(9-7-17)14(19)16-11-4-5-13(20-2)12(15)10-11/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)
InChIKeyXLPMGSDGPVQRCS-UHFFFAOYSA-N
XLogP2.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108333
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108509
N-(3-chloro-4-methoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113423
N-(3-chloro-4-methoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108989593
N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696657
(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 95970558
N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111442952
methyl 2-[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]acetate
CID 99795763
N-(3-chloro-4-methoxyphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide
CID 50946755
N-(2,6-dimethoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108867993

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide (CID 108988526) is N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)Nc2ccc(OC)c(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide?
The InChIKey is XLPMGSDGPVQRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-3-17-6-8-18(9-7-17)14(19)16-11-4-5-13(20-2)12(15)10-11/h4-5,10H,3,6-9H2,1-2H3,(H,16,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide?
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 108988526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).