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

C24H31N3O2 — CID 10763158

IUPAC5-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCCC2C(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-29-23-12-6-9-20-21(23)10-5-11-22(20)24(28)25-13-14-26-15-17-27(18-16-26)19-7-3-2-4-8-19/h2-4,6-9,12,22H,5,10-11,13-18H2,1H3,(H,25,28)
InChIKeyZNLVNNSCBPOHJX-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.05
Rot. Bonds6

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

5-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 10763158) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 5-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID10763158
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name5-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCCC2C(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-29-23-12-6-9-20-21(23)10-5-11-22(20)24(28)25-13-14-26-15-17-27(18-16-26)19-7-3-2-4-8-19/h2-4,6-9,12,22H,5,10-11,13-18H2,1H3,(H,25,28)
InChIKeyZNLVNNSCBPOHJX-UHFFFAOYSA-N
XLogP3.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
4-fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 131906
W54011
CID 5311122
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11432177
Cyclohexanecarboxamide, 4-(3-(hydroxymethyl)phenoxy)-N-methyl-N-(3-methyl-4-(((3S)-3-methyl-1-piperazinyl)methyl)phenyl)-, trans-
CID 56960876
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
4-(4-fluorophenoxy)-N-methyl-N-[3-methyl-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide
CID 56960874
4-[3-(2-hydroxyethyl)phenoxy]-N-methyl-N-[3-methyl-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide
CID 56961016
4-[5-(hydroxymethyl)-2-methylphenoxy]-N-methyl-N-[3-methyl-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide
CID 89723482
N-{4-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-butyl}-3-methoxy-benzamide
CID 10430816
3-Methoxy-N-[2-(4-naphthalen-1-yl-piperazin-1-yl)-ethyl]-benzamide
CID 11090403
4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide
CID 11582219

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 10763158) is 5-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1cccc2c1CCCC2C(=O)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is ZNLVNNSCBPOHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-29-23-12-6-9-20-21(23)10-5-11-22(20)24(28)25-13-14-26-15-17-27(18-16-26)19-7-3-2-4-8-19/h2-4,6-9,12,22H,5,10-11,13-18H2,1H3,(H,25,28).
What are the key properties of 5-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 10763158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).