[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone

C22H29N3O2 — CID 95227967

IUPAC[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESC[C@H](CO)Nc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C22H29N3O2/c1-17(16-26)24-21-10-9-20(15-23-21)22(27)25-13-11-19(12-14-25)8-7-18-5-3-2-4-6-18/h2-6,9-10,15,17,19,26H,7-8,11-14,16H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyUVWCRYLXPGRLFV-QGZVFWFLSA-N
MW367.49 g/mol
LogP3.36
Rot. Bonds7

About [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone

[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 95227967) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID95227967
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESC[C@H](CO)Nc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C22H29N3O2/c1-17(16-26)24-21-10-9-20(15-23-21)22(27)25-13-11-19(12-14-25)8-7-18-5-3-2-4-6-18/h2-6,9-10,15,17,19,26H,7-8,11-14,16H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyUVWCRYLXPGRLFV-QGZVFWFLSA-N
XLogP3.36
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

N,N-dimethyl-2-[[5-[4-(2-phenylethyl)piperidine-1-carbonyl]-2-pyridinyl]amino]acetamide
CID 56749811
1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 56877304
[4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 56917083
[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56754313
[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 95223445
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56746243
[4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone
CID 56917055
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56750257
[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 95207332
1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 56869114
6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 63011971
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
CID 119698759

Frequently Asked Questions

What is the IUPAC name of [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone (CID 95227967) is [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone is C[C@H](CO)Nc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1.
What is the InChIKey of [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is UVWCRYLXPGRLFV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(16-26)24-21-10-9-20(15-23-21)22(27)25-13-11-19(12-14-25)8-7-18-5-3-2-4-6-18/h2-6,9-10,15,17,19,26H,7-8,11-14,16H2,1H3,(H,23,24)/t17-/m1/s1.
What are the key properties of [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 367.49 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95227967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).