(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

C23H29N3O2 — CID 1439451

IUPAC(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-17(23(27)24-20-7-6-18-4-3-5-19(18)16-20)25-12-14-26(15-13-25)21-8-10-22(28-2)11-9-21/h6-11,16-17H,3-5,12-15H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyGBWSXVLFJRFMMX-QGZVFWFLSA-N
MW379.50 g/mol
LogP3.33
Rot. Bonds5

About (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 1439451) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID1439451
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-17(23(27)24-20-7-6-18-4-3-5-19(18)16-20)25-12-14-26(15-13-25)21-8-10-22(28-2)11-9-21/h6-11,16-17H,3-5,12-15H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKeyGBWSXVLFJRFMMX-QGZVFWFLSA-N
XLogP3.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide
CID 9275055
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500
(2R)-N-(3-fluoro-4-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461953
N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093944
(2R)-N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461838
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 9445071
2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55829823
N-(3,5-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42998885
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630982
(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461848

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (CID 1439451) is (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc4c(c3)CCC4)CC2)cc1.
What is the InChIKey of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is GBWSXVLFJRFMMX-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(23(27)24-20-7-6-18-4-3-5-19(18)16-20)25-12-14-26(15-13-25)21-8-10-22(28-2)11-9-21/h6-11,16-17H,3-5,12-15H2,1-2H3,(H,24,27)/t17-/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 1439451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).