(3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione

C16H22N2O3 — CID 142166984

IUPAC(3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione
SMILESCOc1ccc(CCCN2C(=O)CN(C)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C16H22N2O3/c1-12-16(20)17(2)11-15(19)18(12)10-4-5-13-6-8-14(21-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m0/s1
InChIKeyUHHCMVNUZRJQST-LBPRGKRZSA-N
MW290.36 g/mol
LogP1.32
Rot. Bonds5

About (3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione

(3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione (PubChem CID 142166984) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione
PubChem CID142166984
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione
SMILESCOc1ccc(CCCN2C(=O)CN(C)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C16H22N2O3/c1-12-16(20)17(2)11-15(19)18(12)10-4-5-13-6-8-14(21-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m0/s1
InChIKeyUHHCMVNUZRJQST-LBPRGKRZSA-N
XLogP1.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-dimethylpiperazine-2,5-dione;1,2,3-trimethoxy-5-(4-methylphenyl)benzene
CID 142167035
(3R)-3-methyl-1-(2-phenylethyl)-4-(3-phenylpropyl)piperazine-2,5-dione
CID 165419017
3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
CID 171320911
(3aR,6aR)-4-[3-(4-methoxyphenyl)propyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 139598523
2-[3-(4-methoxyphenyl)propyl]-3-methyl-3,4-dihydro-1H-isoquinoline
CID 110457305
(3S)-1-[(4-methoxyphenyl)methyl]-3-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-2,5-dione
CID 164699527
(3S)-1-[(4-methoxyphenyl)methyl]-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione
CID 165421540
(3S)-4-[(2,6-dimethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165419805
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
6-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 135069719
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline
CID 110457325

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione?
The IUPAC name of (3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione (CID 142166984) is (3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for (3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione is COc1ccc(CCCN2C(=O)CN(C)C(=O)[C@@H]2C)cc1.
What is the InChIKey of (3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione?
The InChIKey is UHHCMVNUZRJQST-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-16(20)17(2)11-15(19)18(12)10-4-5-13-6-8-14(21-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione?
(3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[3-(4-methoxyphenyl)propyl]-1,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 142166984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).