[4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone

C19H27N3O3 — CID 120620656

IUPAC[4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCN[C@@H](C)C3)CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-14-13-16(7-8-20-14)19(24)22-11-9-21(10-12-22)18(23)15-3-5-17(25-2)6-4-15/h3-6,14,16,20H,7-13H2,1-2H3/t14-,16-/m0/s1
InChIKeyIEUGCFKXKVXMEF-HOCLYGCPSA-N
MW345.44 g/mol
LogP1.37
Rot. Bonds3

About [4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone

[4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone (PubChem CID 120620656) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is [4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
PubChem CID120620656
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name[4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCN[C@@H](C)C3)CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-14-13-16(7-8-20-14)19(24)22-11-9-21(10-12-22)18(23)15-3-5-17(25-2)6-4-15/h3-6,14,16,20H,7-13H2,1-2H3/t14-,16-/m0/s1
InChIKeyIEUGCFKXKVXMEF-HOCLYGCPSA-N
XLogP1.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone with MolForge

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Related Compounds

[4-(4-methylbenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120620493
3-(4-methoxyphenyl)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 120626309
[4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119281944
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120625408
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120622997
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
2-adamantyl-[4-(4-methoxybenzoyl)piperazin-1-yl]methanone
CID 46570300
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120630519
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[4-(4-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 154896788
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The IUPAC name of [4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone (CID 120620656) is [4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone.
What is the SMILES notation for [4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The canonical SMILES for [4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCN[C@@H](C)C3)CC2)cc1.
What is the InChIKey of [4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The InChIKey is IEUGCFKXKVXMEF-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-13-16(7-8-20-14)19(24)22-11-9-21(10-12-22)18(23)15-3-5-17(25-2)6-4-15/h3-6,14,16,20H,7-13H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of [4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
[4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone has a molecular weight of 345.44 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone is sourced from PubChem (CID 120620656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).