2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate

C24H35N3O3 — CID 10597853

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate
SMILESCOc1ccccc1N1CCN(CCOC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H35N3O3/c1-29-22-5-3-2-4-21(22)27-8-6-26(7-9-27)10-11-30-23(28)25-24-15-18-12-19(16-24)14-20(13-18)17-24/h2-5,18-20H,6-17H2,1H3,(H,25,28)
InChIKeyVYHAWZMLDHZXJK-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.51
Rot. Bonds6

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate

2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate (PubChem CID 10597853) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate
PubChem CID10597853
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate
SMILESCOc1ccccc1N1CCN(CCOC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H35N3O3/c1-29-22-5-3-2-4-21(22)27-8-6-26(7-9-27)10-11-30-23(28)25-24-15-18-12-19(16-24)14-20(13-18)17-24/h2-5,18-20H,6-17H2,1H3,(H,25,28)
InChIKeyVYHAWZMLDHZXJK-UHFFFAOYSA-N
XLogP3.51
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

LR 511
CID 68696
GW542573X
CID 24885053
Nbump
CID 64622
N-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]tricyclo[3.3.1.13,7]decane-1-carboxamide Dihydrochloride
CID 45265256
tert-butyl N-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}carbamate
CID 57420188
tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate
CID 58765508
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide
CID 15818986
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclohexanecarboxamide
CID 44276536
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]adamantane-1-carboxamide;dihydrochloride
CID 45262459
N-[(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]adamantane-1-carboxamide;dihydrochloride
CID 45262467
1-(1-Adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea;dihydrochloride
CID 45265241
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-ylphenyl)pentanamide;hydrochloride
CID 162666976

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate (CID 10597853) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate is COc1ccccc1N1CCN(CCOC(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate?
The InChIKey is VYHAWZMLDHZXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-29-22-5-3-2-4-21(22)27-8-6-26(7-9-27)10-11-30-23(28)25-24-15-18-12-19(16-24)14-20(13-18)17-24/h2-5,18-20H,6-17H2,1H3,(H,25,28).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate?
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate has a molecular weight of 413.56 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-(1-adamantyl)carbamate is sourced from PubChem (CID 10597853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).