4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide

C25H33N3O2 — CID 10597541

IUPAC4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCN(C3CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C25H33N3O2/c1-30-22-12-10-21(11-13-22)25(29)26-14-5-15-27-16-18-28(19-17-27)24-9-4-7-20-6-2-3-8-23(20)24/h2-3,6,8,10-13,24H,4-5,7,9,14-19H2,1H3,(H,26,29)
InChIKeyUDJUKNPZWYMHGD-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.51
Rot. Bonds7

About 4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide

4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide (PubChem CID 10597541) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide
PubChem CID10597541
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCN(C3CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C25H33N3O2/c1-30-22-12-10-21(11-13-22)25(29)26-14-5-15-27-16-18-28(19-17-27)24-9-4-7-20-6-2-3-8-23(20)24/h2-3,6,8,10-13,24H,4-5,7,9,14-19H2,1H3,(H,26,29)
InChIKeyUDJUKNPZWYMHGD-UHFFFAOYSA-N
XLogP3.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 10046389
4-fluoro-N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 10474964
3,4,5-trimethoxy-N-[2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazin-1-yl]ethyl]benzamide
CID 10695574
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methoxybenzamide
CID 39614213
N-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide
CID 10622315
4-methoxy-N-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
CID 71768306
4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577342
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
tert-butyl 4-[3-[(4-methoxybenzoyl)amino]propyl]piperazine-1-carboxylate
CID 47038372
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
4-methoxy-N-[2-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 122081559
4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27441296

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide (CID 10597541) is 4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide is COc1ccc(C(=O)NCCCN2CCN(C3CCCc4ccccc43)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide?
The InChIKey is UDJUKNPZWYMHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-30-22-12-10-21(11-13-22)25(29)26-14-5-15-27-16-18-28(19-17-27)24-9-4-7-20-6-2-3-8-23(20)24/h2-3,6,8,10-13,24H,4-5,7,9,14-19H2,1H3,(H,26,29).
What are the key properties of 4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide?
4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide has a molecular weight of 407.56 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 10597541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).