3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one

C19H29N3O2 — CID 120754014

IUPAC3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
SMILESCOc1ccccc1C1CNCCN1C1CCCN(C(C)C)C1=O
InChIInChI=1S/C19H29N3O2/c1-14(2)21-11-6-8-16(19(21)23)22-12-10-20-13-17(22)15-7-4-5-9-18(15)24-3/h4-5,7,9,14,16-17,20H,6,8,10-13H2,1-3H3
InChIKeyPHABAKBTVFYDHW-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.04
Rot. Bonds4

About 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one

3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one (PubChem CID 120754014) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
PubChem CID120754014
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
SMILESCOc1ccccc1C1CNCCN1C1CCCN(C(C)C)C1=O
InChIInChI=1S/C19H29N3O2/c1-14(2)21-11-6-8-16(19(21)23)22-12-10-20-13-17(22)15-7-4-5-9-18(15)24-3/h4-5,7,9,14,16-17,20H,6,8,10-13H2,1-3H3
InChIKeyPHABAKBTVFYDHW-UHFFFAOYSA-N
XLogP2.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride
CID 120754001
(2R)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 124500768
(2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 124500769
4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride
CID 120734241
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120733049
2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 120763359
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120763011
1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 120732946
2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120763163
(4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120735018
2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane
CID 53237372

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one (CID 120754014) is 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one is COc1ccccc1C1CNCCN1C1CCCN(C(C)C)C1=O.
What is the InChIKey of 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is PHABAKBTVFYDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)21-11-6-8-16(19(21)23)22-12-10-20-13-17(22)15-7-4-5-9-18(15)24-3/h4-5,7,9,14,16-17,20H,6,8,10-13H2,1-3H3.
What are the key properties of 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 331.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 120754014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).