1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone

C16H26N4O2 — CID 95896324

IUPAC1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
SMILESCc1ccnn1CC(=O)N1CCC(N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C16H26N4O2/c1-13-4-7-17-20(13)12-16(22)18-9-5-14(6-10-18)19-8-2-3-15(21)11-19/h4,7,14-15,21H,2-3,5-6,8-12H2,1H3/t15-/m0/s1
InChIKeyBGZOIOQTPYBTHX-HNNXBMFYSA-N
MW306.41 g/mol
LogP0.64
Rot. Bonds3

About 1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone

1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone (PubChem CID 95896324) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
PubChem CID95896324
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
SMILESCc1ccnn1CC(=O)N1CCC(N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C16H26N4O2/c1-13-4-7-17-20(13)12-16(22)18-9-5-14(6-10-18)19-8-2-3-15(21)11-19/h4,7,14-15,21H,2-3,5-6,8-12H2,1H3/t15-/m0/s1
InChIKeyBGZOIOQTPYBTHX-HNNXBMFYSA-N
XLogP0.64
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone with MolForge

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Related Compounds

methyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate
CID 134069336
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 97134776
3-(benzimidazol-1-yl)-1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]propan-1-one
CID 95893607
2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 56911600
2-(5-methylpyrazol-1-yl)-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 91945370
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 95889375
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
CID 97195616
N-[(2,3-dimethylphenyl)methyl]-4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carboxamide
CID 126424306
1-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
CID 19527458
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 111101960
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97121194
1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 95714528

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone (CID 95896324) is 1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone is Cc1ccnn1CC(=O)N1CCC(N2CCC[C@H](O)C2)CC1.
What is the InChIKey of 1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The InChIKey is BGZOIOQTPYBTHX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13-4-7-17-20(13)12-16(22)18-9-5-14(6-10-18)19-8-2-3-15(21)11-19/h4,7,14-15,21H,2-3,5-6,8-12H2,1H3/t15-/m0/s1.
What are the key properties of 1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone has a molecular weight of 306.41 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 95896324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).