(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C26H33N3O2 — CID 30955583

IUPAC(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C26H33N3O2/c1-19(26(30)27-24-8-4-6-21-5-2-3-7-23(21)24)29-14-12-28(13-15-29)18-20-9-10-25-22(17-20)11-16-31-25/h2-3,5,7,9-10,17,19,24H,4,6,8,11-16,18H2,1H3,(H,27,30)/t19-,24+/m0/s1
InChIKeyFVDMGCOPSXVNMV-YADARESESA-N
MW419.57 g/mol
LogP3.32
Rot. Bonds5

About (2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 30955583) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is (2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID30955583
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C26H33N3O2/c1-19(26(30)27-24-8-4-6-21-5-2-3-7-23(21)24)29-14-12-28(13-15-29)18-20-9-10-25-22(17-20)11-16-31-25/h2-3,5,7,9-10,17,19,24H,4,6,8,11-16,18H2,1H3,(H,27,30)/t19-,24+/m0/s1
InChIKeyFVDMGCOPSXVNMV-YADARESESA-N
XLogP3.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide
CID 9126979
(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 9127313
(2S)-N-(4-cyanophenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide
CID 9126989
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanamide
CID 30635854
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4781124
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95344485
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7986649
N-(1-acetylpiperidin-4-yl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
CID 55446267
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7986648
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 86919603
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol
CID 111113743
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of (2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 30955583) is (2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for (2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCN(Cc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of (2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is FVDMGCOPSXVNMV-YADARESESA-N. The full InChI is InChI=1S/C26H33N3O2/c1-19(26(30)27-24-8-4-6-21-5-2-3-7-23(21)24)29-14-12-28(13-15-29)18-20-9-10-25-22(17-20)11-16-31-25/h2-3,5,7,9-10,17,19,24H,4,6,8,11-16,18H2,1H3,(H,27,30)/t19-,24+/m0/s1.
What are the key properties of (2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 419.57 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 30955583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).