(3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one

C22H31N3O4 — CID 97342882

IUPAC(3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
SMILESCOc1ccccc1C(=O)N1CCN([C@H]2CCCN(C3CCOCC3)C2=O)CC1
InChIInChI=1S/C22H31N3O4/c1-28-20-7-3-2-5-18(20)21(26)24-13-11-23(12-14-24)19-6-4-10-25(22(19)27)17-8-15-29-16-9-17/h2-3,5,7,17,19H,4,6,8-16H2,1H3/t19-/m0/s1
InChIKeyYZYIUWDTKQHPFQ-IBGZPJMESA-N
MW401.51 g/mol
LogP1.62
Rot. Bonds4

About (3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one

(3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one (PubChem CID 97342882) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is (3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
PubChem CID97342882
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name(3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
SMILESCOc1ccccc1C(=O)N1CCN([C@H]2CCCN(C3CCOCC3)C2=O)CC1
InChIInChI=1S/C22H31N3O4/c1-28-20-7-3-2-5-18(20)21(26)24-13-11-23(12-14-24)19-6-4-10-25(22(19)27)17-8-15-29-16-9-17/h2-3,5,7,17,19H,4,6,8-16H2,1H3/t19-/m0/s1
InChIKeyYZYIUWDTKQHPFQ-IBGZPJMESA-N
XLogP1.62
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one with MolForge

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Related Compounds

3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one
CID 75473640
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one
CID 97342885
(3S)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 97342876
(2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone
CID 796507
3-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 75468323
(3R)-3-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97319570
3-[4-(2-ethoxybenzoyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 71687197
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 70720977
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroisoquinolin-1-one
CID 110085561
(2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 119947314

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one?
The IUPAC name of (3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one (CID 97342882) is (3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one.
What is the SMILES notation for (3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one?
The canonical SMILES for (3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one is COc1ccccc1C(=O)N1CCN([C@H]2CCCN(C3CCOCC3)C2=O)CC1.
What is the InChIKey of (3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one?
The InChIKey is YZYIUWDTKQHPFQ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H31N3O4/c1-28-20-7-3-2-5-18(20)21(26)24-13-11-23(12-14-24)19-6-4-10-25(22(19)27)17-8-15-29-16-9-17/h2-3,5,7,17,19H,4,6,8-16H2,1H3/t19-/m0/s1.
What are the key properties of (3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one?
(3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one has a molecular weight of 401.51 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one is sourced from PubChem (CID 97342882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).