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

C22H26ClN3O — CID 9445071

IUPAC(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C22H26ClN3O/c1-16(22(27)24-19-10-9-17-5-4-6-18(17)15-19)25-11-13-26(14-12-25)21-8-3-2-7-20(21)23/h2-3,7-10,15-16H,4-6,11-14H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeyAJLSOBWTWDMUGM-INIZCTEOSA-N
MW383.92 g/mol
LogP3.98
Rot. Bonds4

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

(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide (PubChem CID 9445071) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
PubChem CID9445071
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C22H26ClN3O/c1-16(22(27)24-19-10-9-17-5-4-6-18(17)15-19)25-11-13-26(14-12-25)21-8-3-2-7-20(21)23/h2-3,7-10,15-16H,4-6,11-14H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeyAJLSOBWTWDMUGM-INIZCTEOSA-N
XLogP3.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide
CID 9275055
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 42858816
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9445025
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248457
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 8704511
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 1439451
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 9459764
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 42122346
N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4797002
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]propanamide
CID 9445035
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 9444967

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The IUPAC name of (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide (CID 9445071) is (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide.
What is the SMILES notation for (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The canonical SMILES for (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide is C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The InChIKey is AJLSOBWTWDMUGM-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-16(22(27)24-19-10-9-17-5-4-6-18(17)15-19)25-11-13-26(14-12-25)21-8-3-2-7-20(21)23/h2-3,7-10,15-16H,4-6,11-14H2,1H3,(H,24,27)/t16-/m0/s1.
What are the key properties of (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide has a molecular weight of 383.92 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide is sourced from PubChem (CID 9445071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).