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Nafiverine

C34H38N2O4 — CID 21137

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-[2-(2-naphthalen-1-ylpropanoyloxy)ethyl]piperazin-1-yl]ethyl 2-naphthalen-1-ylpropanoate
SMILESCC(C(=O)OCCN1CCN(CCOC(=O)C(C)c2cccc3ccccc23)CC1)c1cccc2ccccc12
InChIInChI=1S/C34H38N2O4/c1-25(29-15-7-11-27-9-3-5-13-31(27)29)33(37)39-23-21-35-17-19-36(20-18-35)22-24-40-34(38)26(2)30-16-8-12-28-10-4-6-14-32(28)30/h3-16,25-26H,17-24H2,1-2H3
InChIKeyZLFQARCCMWUSQE-UHFFFAOYSA-N
MW538.69 g/mol
LogP5.60
Rot. Bonds10

About Nafiverine

Nafiverine (PubChem CID 21137) has the molecular formula C34H38N2O4 and a molecular weight of 538.69 g/mol. Its IUPAC name is 2-[4-[2-(2-naphthalen-1-ylpropanoyloxy)ethyl]piperazin-1-yl]ethyl 2-naphthalen-1-ylpropanoate.

Molecular Properties

Compound NameNafiverine
PubChem CID21137
Molecular FormulaC34H38N2O4
Molecular Weight538.69 g/mol
Exact Mass538.28
IUPAC Name2-[4-[2-(2-naphthalen-1-ylpropanoyloxy)ethyl]piperazin-1-yl]ethyl 2-naphthalen-1-ylpropanoate
SMILESCC(C(=O)OCCN1CCN(CCOC(=O)C(C)c2cccc3ccccc23)CC1)c1cccc2ccccc12
InChIInChI=1S/C34H38N2O4/c1-25(29-15-7-11-27-9-3-5-13-31(27)29)33(37)39-23-21-35-17-19-36(20-18-35)22-24-40-34(38)26(2)30-16-8-12-28-10-4-6-14-32(28)30/h3-16,25-26H,17-24H2,1-2H3
InChIKeyZLFQARCCMWUSQE-UHFFFAOYSA-N
XLogP5.60
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(2,2-Diphenylacetyl)oxyethyl]piperazin-1-yl]ethyl 2,2-diphenylacetate
CID 4742762
2-(Diethylamino)ethyl 2-(naphthalen-1-yl)pent-4-enoate
CID 18585
(Piperazine-1,4-diyl)di(ethane-2,1-diyl) bis(2-(naphthalen-1-yl)propanoate)--hydrogen chloride (1/2)
CID 21136
1-Naphthalenepropanoic acid, alpha-(1-naphthalenylmethyl)-, 2-(diethylamino)ethyl ester, ethanedioate (1:1)
CID 3087538
methyl (1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(3S)-3-methyl-5-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]oxypentyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
CID 70686251
1-Naphthalene acetic acid, dimethylaminoethyl ester
CID 25416

Frequently Asked Questions

What is the IUPAC name of Nafiverine?
The IUPAC name of Nafiverine (CID 21137) is 2-[4-[2-(2-naphthalen-1-ylpropanoyloxy)ethyl]piperazin-1-yl]ethyl 2-naphthalen-1-ylpropanoate.
What is the SMILES notation for Nafiverine?
The canonical SMILES for Nafiverine is CC(C(=O)OCCN1CCN(CCOC(=O)C(C)c2cccc3ccccc23)CC1)c1cccc2ccccc12.
What is the InChIKey of Nafiverine?
The InChIKey is ZLFQARCCMWUSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O4/c1-25(29-15-7-11-27-9-3-5-13-31(27)29)33(37)39-23-21-35-17-19-36(20-18-35)22-24-40-34(38)26(2)30-16-8-12-28-10-4-6-14-32(28)30/h3-16,25-26H,17-24H2,1-2H3.
What are the key properties of Nafiverine?
Nafiverine has a molecular weight of 538.69 g/mol, XLogP of 5.60, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Nafiverine is sourced from PubChem (CID 21137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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