ethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride

C20H28ClN3O3 — CID 19808500

IUPACethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride
SMILESCCOC(=O)NCCN1CCN(c2cccc3ccc(OC)cc23)CC1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-3-26-20(24)21-9-10-22-11-13-23(14-12-22)19-6-4-5-16-7-8-17(25-2)15-18(16)19;/h4-8,15H,3,9-14H2,1-2H3,(H,21,24);1H
InChIKeyPYVPZKLLCPDMCF-UHFFFAOYSA-N
MW393.92 g/mol
LogP3.14
Rot. Bonds6

About ethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride

ethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride (PubChem CID 19808500) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is ethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride
PubChem CID19808500
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Nameethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride
SMILESCCOC(=O)NCCN1CCN(c2cccc3ccc(OC)cc23)CC1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-3-26-20(24)21-9-10-22-11-13-23(14-12-22)19-6-4-5-16-7-8-17(25-2)15-18(16)19;/h4-8,15H,3,9-14H2,1-2H3,(H,21,24);1H
InChIKeyPYVPZKLLCPDMCF-UHFFFAOYSA-N
XLogP3.14
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride?
The IUPAC name of ethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride (CID 19808500) is ethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride is CCOC(=O)NCCN1CCN(c2cccc3ccc(OC)cc23)CC1.Cl.
What is the InChIKey of ethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride?
The InChIKey is PYVPZKLLCPDMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.ClH/c1-3-26-20(24)21-9-10-22-11-13-23(14-12-22)19-6-4-5-16-7-8-17(25-2)15-18(16)19;/h4-8,15H,3,9-14H2,1-2H3,(H,21,24);1H.
What are the key properties of ethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride?
ethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride is sourced from PubChem (CID 19808500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).