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

C24H29N3O2 — CID 166203255

IUPACN-[2-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]propanamide
SMILESCCC(=O)NC(C(=O)N1CCN(c2ccc3c(c2)CCC3)CC1)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-2-22(28)25-23(19-7-4-3-5-8-19)24(29)27-15-13-26(14-16-27)21-12-11-18-9-6-10-20(18)17-21/h3-5,7-8,11-12,17,23H,2,6,9-10,13-16H2,1H3,(H,25,28)
InChIKeySQZGUEKAJPMNOS-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.09
Rot. Bonds5

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

N-[2-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]propanamide (PubChem CID 166203255) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[2-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]propanamide
PubChem CID166203255
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[2-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]propanamide
SMILESCCC(=O)NC(C(=O)N1CCN(c2ccc3c(c2)CCC3)CC1)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-2-22(28)25-23(19-7-4-3-5-8-19)24(29)27-15-13-26(14-16-27)21-12-11-18-9-6-10-20(18)17-21/h3-5,7-8,11-12,17,23H,2,6,9-10,13-16H2,1H3,(H,25,28)
InChIKeySQZGUEKAJPMNOS-UHFFFAOYSA-N
XLogP3.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286989
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide
CID 110286990
N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide
CID 134270184
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid
CID 119372755
2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 108510874
(2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-morpholin-4-yl-2-phenylethanone
CID 9296614
2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286997
2-amino-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone
CID 96669235
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide
CID 110286992
(2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide
CID 131906221
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
2-benzyl-1-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperazin-1-yl]-3-methylbutan-1-one
CID 69448723

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]propanamide?
The IUPAC name of N-[2-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]propanamide (CID 166203255) is N-[2-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]propanamide.
What is the SMILES notation for N-[2-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]propanamide?
The canonical SMILES for N-[2-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]propanamide is CCC(=O)NC(C(=O)N1CCN(c2ccc3c(c2)CCC3)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]propanamide?
The InChIKey is SQZGUEKAJPMNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-22(28)25-23(19-7-4-3-5-8-19)24(29)27-15-13-26(14-16-27)21-12-11-18-9-6-10-20(18)17-21/h3-5,7-8,11-12,17,23H,2,6,9-10,13-16H2,1H3,(H,25,28).
What are the key properties of N-[2-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]propanamide?
N-[2-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]propanamide has a molecular weight of 391.52 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]propanamide is sourced from PubChem (CID 166203255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).