(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

C24H30ClN3O2 — CID 9459732

IUPAC(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H30ClN3O2/c1-18-16-22(23(30-3)17-21(18)25)26-24(29)19(2)28-14-12-27(13-15-28)11-7-10-20-8-5-4-6-9-20/h4-10,16-17,19H,11-15H2,1-3H3,(H,26,29)/b10-7+/t19-/m1/s1
InChIKeyLMUXIOQRTOOGHA-QPGLYAHGSA-N
MW427.98 g/mol
LogP4.32
Rot. Bonds7

About (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (PubChem CID 9459732) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
PubChem CID9459732
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H30ClN3O2/c1-18-16-22(23(30-3)17-21(18)25)26-24(29)19(2)28-14-12-27(13-15-28)11-7-10-20-8-5-4-6-9-20/h4-10,16-17,19H,11-15H2,1-3H3,(H,26,29)/b10-7+/t19-/m1/s1
InChIKeyLMUXIOQRTOOGHA-QPGLYAHGSA-N
XLogP4.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 51168075
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 9459711
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 17397855
(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 8621429
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 120762021
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680298
ethyl 1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 26005998
(2R)-N-(methylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 2447593
(2R)-N-(4-acetylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 7831719
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46631399
(3R)-1-[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 25493999
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 9459764

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (CID 9459732) is (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The InChIKey is LMUXIOQRTOOGHA-QPGLYAHGSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-18-16-22(23(30-3)17-21(18)25)26-24(29)19(2)28-14-12-27(13-15-28)11-7-10-20-8-5-4-6-9-20/h4-10,16-17,19H,11-15H2,1-3H3,(H,26,29)/b10-7+/t19-/m1/s1.
What are the key properties of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide has a molecular weight of 427.98 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 9459732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).