[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate

C21H27N3O4 — CID 44538760

IUPAC[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate
SMILESCOc1ccccc1N1CCN(CCOc2ccc(COC(N)=O)cc2)CC1
InChIInChI=1S/C21H27N3O4/c1-26-20-5-3-2-4-19(20)24-12-10-23(11-13-24)14-15-27-18-8-6-17(7-9-18)16-28-21(22)25/h2-9H,10-16H2,1H3,(H2,22,25)
InChIKeyADNARUGQVWHIQY-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.49
Rot. Bonds8

About [4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate

[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate (PubChem CID 44538760) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is [4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate.

Molecular Properties

Compound Name[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate
PubChem CID44538760
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate
SMILESCOc1ccccc1N1CCN(CCOc2ccc(COC(N)=O)cc2)CC1
InChIInChI=1S/C21H27N3O4/c1-26-20-5-3-2-4-19(20)24-12-10-23(11-13-24)14-15-27-18-8-6-17(7-9-18)16-28-21(22)25/h2-9H,10-16H2,1H3,(H2,22,25)
InChIKeyADNARUGQVWHIQY-UHFFFAOYSA-N
XLogP2.49
TPSA77.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
3-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-1,1-dimethylurea
CID 44538852
N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide
CID 139749928
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline
CID 11440188
1-(2-methoxyphenyl)-4-[4-[4-[(5-methyltetrazol-1-yl)methyl]phenoxy]butyl]piperazine
CID 44538353
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate
CID 54039106
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2H-benzotriazole
CID 11233507
2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]isoindole-1,3-dione
CID 10323108
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid
CID 20985299

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate?
The IUPAC name of [4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate (CID 44538760) is [4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate.
What is the SMILES notation for [4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate?
The canonical SMILES for [4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate is COc1ccccc1N1CCN(CCOc2ccc(COC(N)=O)cc2)CC1.
What is the InChIKey of [4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate?
The InChIKey is ADNARUGQVWHIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-26-20-5-3-2-4-19(20)24-12-10-23(11-13-24)14-15-27-18-8-6-17(7-9-18)16-28-21(22)25/h2-9H,10-16H2,1H3,(H2,22,25).
What are the key properties of [4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate?
[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate has a molecular weight of 385.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate is sourced from PubChem (CID 44538760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).