[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone

C22H23N3O2 — CID 56742882

IUPAC[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)nc1
InChIInChI=1S/C22H23N3O2/c1-16-7-10-20(23-15-16)22(27)11-13-25(14-12-22)21(26)19-9-8-18(24-19)17-5-3-2-4-6-17/h2-10,15,24,27H,11-14H2,1H3
InChIKeyNPDJIOHSQZDPLY-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.51
Rot. Bonds3

About [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone (PubChem CID 56742882) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
PubChem CID56742882
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)nc1
InChIInChI=1S/C22H23N3O2/c1-16-7-10-20(23-15-16)22(27)11-13-25(14-12-22)21(26)19-9-8-18(24-19)17-5-3-2-4-6-17/h2-10,15,24,27H,11-14H2,1H3
InChIKeyNPDJIOHSQZDPLY-UHFFFAOYSA-N
XLogP3.51
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-1H-pyrazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56741023
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 56747203
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 56740554
(4-amino-2-pyridinyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56752037
2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
CID 157014393
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 121498872
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 56754610
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 70726866
[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 56758126
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone
CID 56758093
3-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 157012051

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone (CID 56742882) is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone is Cc1ccc(C2(O)CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)nc1.
What is the InChIKey of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone?
The InChIKey is NPDJIOHSQZDPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-7-10-20(23-15-16)22(27)11-13-25(14-12-22)21(26)19-9-8-18(24-19)17-5-3-2-4-6-17/h2-10,15,24,27H,11-14H2,1H3.
What are the key properties of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone?
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 56742882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).