2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

C19H29N3O2 — CID 94631571

IUPAC2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@H]1CCCN(C(=O)CNc2ccccc2N2CCC(O)CC2)C1
InChIInChI=1S/C19H29N3O2/c1-15-5-4-10-22(14-15)19(24)13-20-17-6-2-3-7-18(17)21-11-8-16(23)9-12-21/h2-3,6-7,15-16,20,23H,4-5,8-14H2,1H3/t15-/m0/s1
InChIKeyDQUDBGJJKYYWLP-HNNXBMFYSA-N
MW331.46 g/mol
LogP2.32
Rot. Bonds4

About 2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone (PubChem CID 94631571) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
PubChem CID94631571
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@H]1CCCN(C(=O)CNc2ccccc2N2CCC(O)CC2)C1
InChIInChI=1S/C19H29N3O2/c1-15-5-4-10-22(14-15)19(24)13-20-17-6-2-3-7-18(17)21-11-8-16(23)9-12-21/h2-3,6-7,15-16,20,23H,4-5,8-14H2,1H3/t15-/m0/s1
InChIKeyDQUDBGJJKYYWLP-HNNXBMFYSA-N
XLogP2.32
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-(2-methylmorpholin-4-yl)ethanone
CID 102554288
2-(2-iodoanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 55434759
2-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 78782428
methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate
CID 109006552
N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 94631561
1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 109006548
1-[2-(2-methylprop-2-enylamino)phenyl]piperidin-4-ol
CID 75416206
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 55345437
4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 55898345
2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 43037378
2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006563
2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide
CID 51121729

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone (CID 94631571) is 2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone is C[C@H]1CCCN(C(=O)CNc2ccccc2N2CCC(O)CC2)C1.
What is the InChIKey of 2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is DQUDBGJJKYYWLP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-5-4-10-22(14-15)19(24)13-20-17-6-2-3-7-18(17)21-11-8-16(23)9-12-21/h2-3,6-7,15-16,20,23H,4-5,8-14H2,1H3/t15-/m0/s1.
What are the key properties of 2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 331.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 94631571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).