2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide

C20H27N3O3 — CID 110127676

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide
SMILESO=C1CN([C@@H]2CC[C@@H](NC(=O)Cc3ccc4c(c3)CCC4)[C@H]2O)CCN1
InChIInChI=1S/C20H27N3O3/c24-18(11-13-4-5-14-2-1-3-15(14)10-13)22-16-6-7-17(20(16)26)23-9-8-21-19(25)12-23/h4-5,10,16-17,20,26H,1-3,6-9,11-12H2,(H,21,25)(H,22,24)/t16-,17-,20-/m1/s1
InChIKeyPMPORMBELSVCCP-MBOZVWFJSA-N
MW357.45 g/mol
LogP0.16
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide (PubChem CID 110127676) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide
PubChem CID110127676
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide
SMILESO=C1CN([C@@H]2CC[C@@H](NC(=O)Cc3ccc4c(c3)CCC4)[C@H]2O)CCN1
InChIInChI=1S/C20H27N3O3/c24-18(11-13-4-5-14-2-1-3-15(14)10-13)22-16-6-7-17(20(16)26)23-9-8-21-19(25)12-23/h4-5,10,16-17,20,26H,1-3,6-9,11-12H2,(H,21,25)(H,22,24)/t16-,17-,20-/m1/s1
InChIKeyPMPORMBELSVCCP-MBOZVWFJSA-N
XLogP0.16
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide (CID 110127676) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide is O=C1CN([C@@H]2CC[C@@H](NC(=O)Cc3ccc4c(c3)CCC4)[C@H]2O)CCN1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide?
The InChIKey is PMPORMBELSVCCP-MBOZVWFJSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-18(11-13-4-5-14-2-1-3-15(14)10-13)22-16-6-7-17(20(16)26)23-9-8-21-19(25)12-23/h4-5,10,16-17,20,26H,1-3,6-9,11-12H2,(H,21,25)(H,22,24)/t16-,17-,20-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]acetamide is sourced from PubChem (CID 110127676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).