1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one

C20H29N3O3 — CID 97188104

IUPAC1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)CC[C@H]3CCCCN3C)CC2=O)c1
InChIInChI=1S/C20H29N3O3/c1-21-11-4-3-6-16(21)9-10-19(24)22-12-13-23(20(25)15-22)17-7-5-8-18(14-17)26-2/h5,7-8,14,16H,3-4,6,9-13,15H2,1-2H3/t16-/m1/s1
InChIKeyYQSGMQRFSXOGHN-MRXNPFEDSA-N
MW359.47 g/mol
LogP2.13
Rot. Bonds5

About 1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one

1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one (PubChem CID 97188104) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
PubChem CID97188104
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)CC[C@H]3CCCCN3C)CC2=O)c1
InChIInChI=1S/C20H29N3O3/c1-21-11-4-3-6-16(21)9-10-19(24)22-12-13-23(20(25)15-22)17-7-5-8-18(14-17)26-2/h5,7-8,14,16H,3-4,6,9-13,15H2,1-2H3/t16-/m1/s1
InChIKeyYQSGMQRFSXOGHN-MRXNPFEDSA-N
XLogP2.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one with MolForge

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97210382
1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one
CID 118765217
1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one
CID 96572161
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
CID 96577420
4-[2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96579896
4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 72901150
1-[(4-fluorophenyl)methyl]-4-[3-[(2S)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97197113
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96576006

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one (CID 97188104) is 1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one is COc1cccc(N2CCN(C(=O)CC[C@H]3CCCCN3C)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one?
The InChIKey is YQSGMQRFSXOGHN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-21-11-4-3-6-16(21)9-10-19(24)22-12-13-23(20(25)15-22)17-7-5-8-18(14-17)26-2/h5,7-8,14,16H,3-4,6,9-13,15H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one?
1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one has a molecular weight of 359.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one is sourced from PubChem (CID 97188104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).