[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone

C20H26N4O2 — CID 95717875

IUPAC[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ncc[nH]2)c1)N1CCC(N2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C20H26N4O2/c25-18-5-2-10-24(14-18)17-6-11-23(12-7-17)20(26)16-4-1-3-15(13-16)19-21-8-9-22-19/h1,3-4,8-9,13,17-18,25H,2,5-7,10-12,14H2,(H,21,22)/t18-/m1/s1
InChIKeyHAOWTXOJULYFMC-GOSISDBHSA-N
MW354.45 g/mol
LogP2.14
Rot. Bonds3

About [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone

[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone (PubChem CID 95717875) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
PubChem CID95717875
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ncc[nH]2)c1)N1CCC(N2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C20H26N4O2/c25-18-5-2-10-24(14-18)17-6-11-23(12-7-17)20(26)16-4-1-3-15(13-16)19-21-8-9-22-19/h1,3-4,8-9,13,17-18,25H,2,5-7,10-12,14H2,(H,21,22)/t18-/m1/s1
InChIKeyHAOWTXOJULYFMC-GOSISDBHSA-N
XLogP2.14
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 95714528
[3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95555128
(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 156606440
[1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45218504
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 95729066
[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 70770536
[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 77096390
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
CID 95866622
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95708619
(4-chloro-3-fluorophenyl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
CID 95713393
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 56910306

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
The IUPAC name of [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone (CID 95717875) is [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone.
What is the SMILES notation for [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
The canonical SMILES for [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone is O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC(N2CCC[C@@H](O)C2)CC1.
What is the InChIKey of [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
The InChIKey is HAOWTXOJULYFMC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-18-5-2-10-24(14-18)17-6-11-23(12-7-17)20(26)16-4-1-3-15(13-16)19-21-8-9-22-19/h1,3-4,8-9,13,17-18,25H,2,5-7,10-12,14H2,(H,21,22)/t18-/m1/s1.
What are the key properties of [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone has a molecular weight of 354.45 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 95717875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).