(1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone

C22H35N3O2 — CID 136530287

IUPAC(1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1C
InChIInChI=1S/C22H35N3O2/c1-18-15-25(14-13-24(18)16-19(2)26)21(27)22(3)9-11-23(12-10-22)17-20-7-5-4-6-8-20/h4-8,18-19,26H,9-17H2,1-3H3
InChIKeyVEWWMNXMQSALJN-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.20
Rot. Bonds5

About (1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone

(1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone (PubChem CID 136530287) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is (1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
PubChem CID136530287
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name(1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1C
InChIInChI=1S/C22H35N3O2/c1-18-15-25(14-13-24(18)16-19(2)26)21(27)22(3)9-11-23(12-10-22)17-20-7-5-4-6-8-20/h4-8,18-19,26H,9-17H2,1-3H3
InChIKeyVEWWMNXMQSALJN-UHFFFAOYSA-N
XLogP2.20
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 99718329
2-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119880087
3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 119953755
1-adamantyl-(4-benzyl-3-methylpiperazin-1-yl)methanone
CID 110657845
(1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 136528204
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
(2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol
CID 124740064
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732
1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide
CID 126801639
(4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 110657781
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 56802208
[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120941305

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone (CID 136530287) is (1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone is CC(O)CN1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1C.
What is the InChIKey of (1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone?
The InChIKey is VEWWMNXMQSALJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-18-15-25(14-13-24(18)16-19(2)26)21(27)22(3)9-11-23(12-10-22)17-20-7-5-4-6-8-20/h4-8,18-19,26H,9-17H2,1-3H3.
What are the key properties of (1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone?
(1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone has a molecular weight of 373.54 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 136530287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).