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

C21H31N3O3 — CID 136528204

IUPAC(1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1C
InChIInChI=1S/C21H31N3O3/c1-16-14-24(13-12-23(16)15-17(2)25)21(27)19-8-10-22(11-9-19)20(26)18-6-4-3-5-7-18/h3-7,16-17,19,25H,8-15H2,1-2H3
InChIKeyKYOJOAVBLLMFDX-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.45
Rot. Bonds4

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

(1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone (PubChem CID 136528204) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is (1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
PubChem CID136528204
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name(1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1C
InChIInChI=1S/C21H31N3O3/c1-16-14-24(13-12-23(16)15-17(2)25)21(27)19-8-10-22(11-9-19)20(26)18-6-4-3-5-7-18/h3-7,16-17,19,25H,8-15H2,1-2H3
InChIKeyKYOJOAVBLLMFDX-UHFFFAOYSA-N
XLogP1.45
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 119880090
(1-benzoylpiperidin-4-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122245207
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone
CID 110657856
2-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119880087
4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783355
[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110658199
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 136530287
1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110741110
(3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979842
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone (CID 136528204) is (1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone is CC(O)CN1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1C.
What is the InChIKey of (1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone?
The InChIKey is KYOJOAVBLLMFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16-14-24(13-12-23(16)15-17(2)25)21(27)19-8-10-22(11-9-19)20(26)18-6-4-3-5-7-18/h3-7,16-17,19,25H,8-15H2,1-2H3.
What are the key properties of (1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone?
(1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone has a molecular weight of 373.50 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 136528204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).