[4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone

C27H32N4O2 — CID 92601431

IUPAC[4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC(O)(CN3CCCC[C@@H]3c3cccnc3)CC2)c2ccccc2n1
InChIInChI=1S/C27H32N4O2/c1-20-17-23(22-8-2-3-9-24(22)29-20)26(32)30-15-11-27(33,12-16-30)19-31-14-5-4-10-25(31)21-7-6-13-28-18-21/h2-3,6-9,13,17-18,25,33H,4-5,10-12,14-16,19H2,1H3/t25-/m1/s1
InChIKeyCDYSUKCWMVLCMC-RUZDIDTESA-N
MW444.58 g/mol
LogP4.13
Rot. Bonds4

About [4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone

[4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone (PubChem CID 92601431) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is [4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
PubChem CID92601431
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name[4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC(O)(CN3CCCC[C@@H]3c3cccnc3)CC2)c2ccccc2n1
InChIInChI=1S/C27H32N4O2/c1-20-17-23(22-8-2-3-9-24(22)29-20)26(32)30-15-11-27(33,12-16-30)19-31-14-5-4-10-25(31)21-7-6-13-28-18-21/h2-3,6-9,13,17-18,25,33H,4-5,10-12,14-16,19H2,1H3/t25-/m1/s1
InChIKeyCDYSUKCWMVLCMC-RUZDIDTESA-N
XLogP4.13
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(6-ethyl-2-methylquinolin-4-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95723621
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 95329119
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973
(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 92756294
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The IUPAC name of [4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone (CID 92601431) is [4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for [4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCC(O)(CN3CCCC[C@@H]3c3cccnc3)CC2)c2ccccc2n1.
What is the InChIKey of [4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The InChIKey is CDYSUKCWMVLCMC-RUZDIDTESA-N. The full InChI is InChI=1S/C27H32N4O2/c1-20-17-23(22-8-2-3-9-24(22)29-20)26(32)30-15-11-27(33,12-16-30)19-31-14-5-4-10-25(31)21-7-6-13-28-18-21/h2-3,6-9,13,17-18,25,33H,4-5,10-12,14-16,19H2,1H3/t25-/m1/s1.
What are the key properties of [4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
[4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone has a molecular weight of 444.58 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 92601431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).