[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C23H29N3O2 — CID 95399160

IUPAC[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)nc1)N1CCCC1
InChIInChI=1S/C23H29N3O2/c27-21-14-17(6-8-20-5-1-2-10-24-20)13-19(15-21)22-9-7-18(16-25-22)23(28)26-11-3-4-12-26/h7,9,13-16,20,24,27H,1-6,8,10-12H2/t20-/m0/s1
InChIKeyYWHGRDJNMZMZSG-FQEVSTJZSA-N
MW379.50 g/mol
LogP3.76
Rot. Bonds5

About [6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 95399160) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is [6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID95399160
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)nc1)N1CCCC1
InChIInChI=1S/C23H29N3O2/c27-21-14-17(6-8-20-5-1-2-10-24-20)13-19(15-21)22-9-7-18(16-25-22)23(28)26-11-3-4-12-26/h7,9,13-16,20,24,27H,1-6,8,10-12H2/t20-/m0/s1
InChIKeyYWHGRDJNMZMZSG-FQEVSTJZSA-N
XLogP3.76
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide
CID 95553212
N-cyclopropyl-2-[3-hydroxy-5-(2-piperidin-2-ylethyl)phenyl]pyridine-4-carboxamide
CID 56876819
3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95552841
3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56878303
3-(2-methyl-4-pyridinyl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
CID 95554178
3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol
CID 56916448
3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95558826
3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56880401
3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol
CID 56868049
3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95722396
[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3931667
piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone
CID 53014233

Frequently Asked Questions

What is the IUPAC name of [6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 95399160) is [6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)nc1)N1CCCC1.
What is the InChIKey of [6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is YWHGRDJNMZMZSG-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-21-14-17(6-8-20-5-1-2-10-24-20)13-19(15-21)22-9-7-18(16-25-22)23(28)26-11-3-4-12-26/h7,9,13-16,20,24,27H,1-6,8,10-12H2/t20-/m0/s1.
What are the key properties of [6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 379.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95399160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).