N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide

C24H31N3O2 — CID 10500792

IUPACN-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCOc1cccc2c1CCCC2NC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-29-23-12-6-9-20-21(23)10-5-11-22(20)25-24(28)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)
InChIKeyYQVQIDUJLONEHJ-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.40
Rot. Bonds6

About N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide

N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 10500792) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID10500792
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCOc1cccc2c1CCCC2NC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-29-23-12-6-9-20-21(23)10-5-11-22(20)25-24(28)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)
InChIKeyYQVQIDUJLONEHJ-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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
Ucm1014
CID 121231413
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11432177
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10021562
{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-amine
CID 10453320
2',5'-Dimethoxyfentanyl
CID 165361586
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
4-fluoro-N-[2-[4-(7-(111C)methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 11618364
3-Methoxy-N-[4-(4-naphthalen-1-yl-piperazin-1-yl)-butyl]-benzamide
CID 11811808

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 10500792) is N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide is COc1cccc2c1CCCC2NC(=O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is YQVQIDUJLONEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-29-23-12-6-9-20-21(23)10-5-11-22(20)25-24(28)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 N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 393.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 10500792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).