(2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide

C19H29N3O3 — CID 124731554

IUPAC(2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide
SMILESC[C@H](NC(=O)[C@@H](C)N1CCN(C)C[C@H]1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H29N3O3/c1-13-12-21(4)7-8-22(13)15(3)19(23)20-14(2)16-5-6-17-18(11-16)25-10-9-24-17/h5-6,11,13-15H,7-10,12H2,1-4H3,(H,20,23)/t13-,14+,15-/m1/s1
InChIKeyJCIMUJHLXKUFHH-QLFBSQMISA-N
MW347.46 g/mol
LogP1.66
Rot. Bonds4

About (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide

(2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide (PubChem CID 124731554) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide
PubChem CID124731554
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide
SMILESC[C@H](NC(=O)[C@@H](C)N1CCN(C)C[C@H]1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H29N3O3/c1-13-12-21(4)7-8-22(13)15(3)19(23)20-14(2)16-5-6-17-18(11-16)25-10-9-24-17/h5-6,11,13-15H,7-10,12H2,1-4H3,(H,20,23)/t13-,14+,15-/m1/s1
InChIKeyJCIMUJHLXKUFHH-QLFBSQMISA-N
XLogP1.66
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2S)-2,4-dimethylpiperazin-1-yl]acetamide
CID 97094331
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methoxypropanamide
CID 115588112
1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 94439969
2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide
CID 43708555
(2S)-2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide;hydrochloride
CID 119270832
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea
CID 55473711
(2S)-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94021113
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylcyclohexyl)urea
CID 75833131
(E)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]but-2-enamide
CID 97170611
(2S)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 95059320
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 29433713
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 51077475

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide (CID 124731554) is (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide is C[C@H](NC(=O)[C@@H](C)N1CCN(C)C[C@H]1C)c1ccc2c(c1)OCCO2.
What is the InChIKey of (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide?
The InChIKey is JCIMUJHLXKUFHH-QLFBSQMISA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-12-21(4)7-8-22(13)15(3)19(23)20-14(2)16-5-6-17-18(11-16)25-10-9-24-17/h5-6,11,13-15H,7-10,12H2,1-4H3,(H,20,23)/t13-,14+,15-/m1/s1.
What are the key properties of (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide?
(2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]propanamide is sourced from PubChem (CID 124731554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).