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

C25H33N3O2 — CID 10645098

IUPAC5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCCC2C(=O)N(C)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H33N3O2/c1-26(14-15-27-16-18-28(19-17-27)20-8-4-3-5-9-20)25(29)23-12-6-11-22-21(23)10-7-13-24(22)30-2/h3-5,7-10,13,23H,6,11-12,14-19H2,1-2H3
InChIKeyPAWFPAAEGFXNSU-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.40
Rot. Bonds6

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

5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 10645098) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID10645098
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCCC2C(=O)N(C)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H33N3O2/c1-26(14-15-27-16-18-28(19-17-27)20-8-4-3-5-9-20)25(29)23-12-6-11-22-21(23)10-7-13-24(22)30-2/h3-5,7-10,13,23H,6,11-12,14-19H2,1-2H3
InChIKeyPAWFPAAEGFXNSU-UHFFFAOYSA-N
XLogP3.40
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide with MolForge

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Related Compounds

1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
W54011
CID 5311122
N-methyl-N-[3-methyl-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-4-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenoxy]cyclohexane-1-carboxamide
CID 56959013
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10021562
1-(2-Methoxy-phenyl)-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10715665
[(3R,4aR,10aR)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-3-yl]-[4-(3,4-difluorophenyl)piperazin-1-yl]methanone
CID 23656026
7-methoxy-2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one
CID 54581963
2-(2-Methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 783653
1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 2669167
1-phenyl-4-(9H-xanthen-9-ylcarbonyl)piperazine
CID 1220269
1-(2-Methoxy-phenyl)-4-[4-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-piperazine
CID 10001519

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 10645098) is 5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1cccc2c1CCCC2C(=O)N(C)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is PAWFPAAEGFXNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-26(14-15-27-16-18-28(19-17-27)20-8-4-3-5-9-20)25(29)23-12-6-11-22-21(23)10-7-13-24(22)30-2/h3-5,7-10,13,23H,6,11-12,14-19H2,1-2H3.
What are the key properties of 5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-methoxy-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 3.40, 6 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-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 10645098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).