3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide

C15H24N4O3 — CID 132948187

IUPAC3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide
SMILESCNC(=O)CCC1(O)CCCN(C(=O)Cn2ccnc2C)C1
InChIInChI=1S/C15H24N4O3/c1-12-17-7-9-18(12)10-14(21)19-8-3-5-15(22,11-19)6-4-13(20)16-2/h7,9,22H,3-6,8,10-11H2,1-2H3,(H,16,20)
InChIKeyAITSIIFBMWZAGN-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.07
Rot. Bonds5

About 3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide

3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide (PubChem CID 132948187) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide
PubChem CID132948187
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide
SMILESCNC(=O)CCC1(O)CCCN(C(=O)Cn2ccnc2C)C1
InChIInChI=1S/C15H24N4O3/c1-12-17-7-9-18(12)10-14(21)19-8-3-5-15(22,11-19)6-4-13(20)16-2/h7,9,22H,3-6,8,10-11H2,1-2H3,(H,16,20)
InChIKeyAITSIIFBMWZAGN-UHFFFAOYSA-N
XLogP0.07
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[2-(2-methylimidazol-1-yl)acetyl]piperidine-3-carbonitrile
CID 131922462
1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 124984316
1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 132764139
3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide
CID 132777230
(2S)-3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)acetyl]piperidine-2-carbonitrile
CID 129488339
N-[[1-[2-(2-ethylimidazol-1-yl)acetyl]-4-hydroxyazepan-4-yl]methyl]methanesulfonamide
CID 56916459
(2R)-N-cyclopentyl-2-methyl-1-[2-(2-methylimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 95851894
(6R)-8-[2-(2-methylimidazol-1-yl)acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97133245
1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one
CID 72900277
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 124949880
2-(2-methylimidazol-1-yl)acetic acid;zinc
CID 175370537
3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol
CID 115874156

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide?
The IUPAC name of 3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide (CID 132948187) is 3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide?
The canonical SMILES for 3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide is CNC(=O)CCC1(O)CCCN(C(=O)Cn2ccnc2C)C1.
What is the InChIKey of 3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide?
The InChIKey is AITSIIFBMWZAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-12-17-7-9-18(12)10-14(21)19-8-3-5-15(22,11-19)6-4-13(20)16-2/h7,9,22H,3-6,8,10-11H2,1-2H3,(H,16,20).
What are the key properties of 3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide?
3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide is sourced from PubChem (CID 132948187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).