(3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one

C21H29N3O3 — CID 95208197

IUPAC(3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1cccc(N2CCN(C3CCN(C(=O)C4CC4)CC3)[C@H](C)C2=O)c1
InChIInChI=1S/C21H29N3O3/c1-15-20(25)24(18-4-3-5-19(14-18)27-2)13-12-23(15)17-8-10-22(11-9-17)21(26)16-6-7-16/h3-5,14-17H,6-13H2,1-2H3/t15-/m1/s1
InChIKeyLPOZTGZRKUGYKX-OAHLLOKOSA-N
MW371.48 g/mol
LogP2.13
Rot. Bonds4

About (3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one

(3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one (PubChem CID 95208197) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
PubChem CID95208197
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1cccc(N2CCN(C3CCN(C(=O)C4CC4)CC3)[C@H](C)C2=O)c1
InChIInChI=1S/C21H29N3O3/c1-15-20(25)24(18-4-3-5-19(14-18)27-2)13-12-23(15)17-8-10-22(11-9-17)21(26)16-6-7-16/h3-5,14-17H,6-13H2,1-2H3/t15-/m1/s1
InChIKeyLPOZTGZRKUGYKX-OAHLLOKOSA-N
XLogP2.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 24715973
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9388657
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 11573068
1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one
CID 24715924
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
(3S)-3-acetyl-1-(3-methoxyphenyl)piperidin-2-one
CID 125457892

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one (CID 95208197) is (3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one is COc1cccc(N2CCN(C3CCN(C(=O)C4CC4)CC3)[C@H](C)C2=O)c1.
What is the InChIKey of (3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
The InChIKey is LPOZTGZRKUGYKX-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15-20(25)24(18-4-3-5-19(14-18)27-2)13-12-23(15)17-8-10-22(11-9-17)21(26)16-6-7-16/h3-5,14-17H,6-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
(3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one has a molecular weight of 371.48 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(3-methoxyphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 95208197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).