N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide

C21H22ClN3O2 — CID 55763362

IUPACN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C1CN(c2ccc(NC(=O)Cc3ccc4c(c3)CCC4)cc2Cl)CCN1
InChIInChI=1S/C21H22ClN3O2/c22-18-12-17(6-7-19(18)25-9-8-23-21(27)13-25)24-20(26)11-14-4-5-15-2-1-3-16(15)10-14/h4-7,10,12H,1-3,8-9,11,13H2,(H,23,27)(H,24,26)
InChIKeyVWMNBLXTXCLVKS-UHFFFAOYSA-N
MW383.88 g/mol
LogP2.95
Rot. Bonds4

About N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide

N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 55763362) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID55763362
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C1CN(c2ccc(NC(=O)Cc3ccc4c(c3)CCC4)cc2Cl)CCN1
InChIInChI=1S/C21H22ClN3O2/c22-18-12-17(6-7-19(18)25-9-8-23-21(27)13-25)24-20(26)11-14-4-5-15-2-1-3-16(15)10-14/h4-7,10,12H,1-3,8-9,11,13H2,(H,23,27)(H,24,26)
InChIKeyVWMNBLXTXCLVKS-UHFFFAOYSA-N
XLogP2.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-naphthalen-2-ylacetamide
CID 46435266
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55710849
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55778666
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 71896620
N-(3,4-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18270009
2-(4-bromophenyl)sulfanyl-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]acetamide
CID 55661614
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 46485394
4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46467877
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55763363
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55710834
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55661987
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2,6-difluorobenzamide
CID 154774030

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 55763362) is N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide is O=C1CN(c2ccc(NC(=O)Cc3ccc4c(c3)CCC4)cc2Cl)CCN1.
What is the InChIKey of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is VWMNBLXTXCLVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-18-12-17(6-7-19(18)25-9-8-23-21(27)13-25)24-20(26)11-14-4-5-15-2-1-3-16(15)10-14/h4-7,10,12H,1-3,8-9,11,13H2,(H,23,27)(H,24,26).
What are the key properties of N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 383.88 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 55763362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).