5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C26H35N3O2 — CID 10574209

IUPAC5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCCC2C(=O)N(C)CCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H35N3O2/c1-27(26(30)24-13-6-12-23-22(24)11-7-14-25(23)31-2)15-8-16-28-17-19-29(20-18-28)21-9-4-3-5-10-21/h3-5,7,9-11,14,24H,6,8,12-13,15-20H2,1-2H3
InChIKeyRLCDLDPMLOPMDM-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.79
Rot. Bonds7

About 5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 10574209) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID10574209
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCCC2C(=O)N(C)CCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H35N3O2/c1-27(26(30)24-13-6-12-23-22(24)11-7-14-25(23)31-2)15-8-16-28-17-19-29(20-18-28)21-9-4-3-5-10-21/h3-5,7,9-11,14,24H,6,8,12-13,15-20H2,1-2H3
InChIKeyRLCDLDPMLOPMDM-UHFFFAOYSA-N
XLogP3.79
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 10574209) is 5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1cccc2c1CCCC2C(=O)N(C)CCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is RLCDLDPMLOPMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-27(26(30)24-13-6-12-23-22(24)11-7-14-25(23)31-2)15-8-16-28-17-19-29(20-18-28)21-9-4-3-5-10-21/h3-5,7,9-11,14,24H,6,8,12-13,15-20H2,1-2H3.
What are the key properties of 5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 10574209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).