(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide

C25H33N3O3 — CID 124742386

IUPAC(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide
SMILESCC(C)Oc1ccccc1N1CCN([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1
InChIInChI=1S/C25H33N3O3/c1-18(2)31-24-11-7-5-9-22(24)28-15-13-27(14-16-28)19(3)25(29)26-21-12-17-30-23-10-6-4-8-20(21)23/h4-11,18-19,21H,12-17H2,1-3H3,(H,26,29)/t19-,21+/m1/s1
InChIKeyXXQSKZKSZFYNOW-CTNGQTDRSA-N
MW423.56 g/mol
LogP3.62
Rot. Bonds6

About (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide

(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide (PubChem CID 124742386) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide
PubChem CID124742386
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide
SMILESCC(C)Oc1ccccc1N1CCN([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1
InChIInChI=1S/C25H33N3O3/c1-18(2)31-24-11-7-5-9-22(24)28-15-13-27(14-16-28)19(3)25(29)26-21-12-17-30-23-10-6-4-8-20(21)23/h4-11,18-19,21H,12-17H2,1-3H3,(H,26,29)/t19-,21+/m1/s1
InChIKeyXXQSKZKSZFYNOW-CTNGQTDRSA-N
XLogP3.62
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95344485
1-[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904104
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 86919603
(2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 32718919
N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide
CID 86918724
N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide
CID 47156481
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 116675622
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-phenylphenoxy)propanamide
CID 46421464

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide (CID 124742386) is (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide is CC(C)Oc1ccccc1N1CCN([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1.
What is the InChIKey of (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is XXQSKZKSZFYNOW-CTNGQTDRSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-18(2)31-24-11-7-5-9-22(24)28-15-13-27(14-16-28)19(3)25(29)26-21-12-17-30-23-10-6-4-8-20(21)23/h4-11,18-19,21H,12-17H2,1-3H3,(H,26,29)/t19-,21+/m1/s1.
What are the key properties of (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide?
(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 423.56 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 124742386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).