N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide

C20H22ClN3O — CID 110399826

IUPACN-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(C2CCc3ccccc32)CC1
InChIInChI=1S/C20H22ClN3O/c21-16-6-8-17(9-7-16)22-20(25)24-13-11-23(12-14-24)19-10-5-15-3-1-2-4-18(15)19/h1-4,6-9,19H,5,10-14H2,(H,22,25)
InChIKeyWEMDESAHSXWDMV-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.18
Rot. Bonds2

About N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide (PubChem CID 110399826) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide
PubChem CID110399826
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC NameN-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(C2CCc3ccccc32)CC1
InChIInChI=1S/C20H22ClN3O/c21-16-6-8-17(9-7-16)22-20(25)24-13-11-23(12-14-24)19-10-5-15-3-1-2-4-18(15)19/h1-4,6-9,19H,5,10-14H2,(H,22,25)
InChIKeyWEMDESAHSXWDMV-UHFFFAOYSA-N
XLogP4.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1H-inden-1-yl)-N-phenylpiperazine-1-carboxamide
CID 110399825
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]methanone
CID 110399834
3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide
CID 15312802
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140487
4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-phenylpiperazine-1-carboxamide
CID 10646414
4-chloro-N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 10046389
N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110884355
(1R)-N-(4-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 1478942
[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 110399802

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide (CID 110399826) is N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(C2CCc3ccccc32)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide?
The InChIKey is WEMDESAHSXWDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-16-6-8-17(9-7-16)22-20(25)24-13-11-23(12-14-24)19-10-5-15-3-1-2-4-18(15)19/h1-4,6-9,19H,5,10-14H2,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide has a molecular weight of 355.87 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide is sourced from PubChem (CID 110399826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).