4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide

C22H29N3O2 — CID 126428645

IUPAC4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide
SMILESCc1cccc(CCNC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H29N3O2/c1-17-6-5-9-20(24-17)10-13-23-22(27)25-14-11-19(12-15-25)21(26)16-18-7-3-2-4-8-18/h2-9,19,21,26H,10-16H2,1H3,(H,23,27)/t21-/m1/s1
InChIKeyDGEXTHVWKIABBI-OAQYLSRUSA-N
MW367.49 g/mol
LogP2.96
Rot. Bonds6

About 4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide

4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide (PubChem CID 126428645) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide
PubChem CID126428645
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide
SMILESCc1cccc(CCNC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H29N3O2/c1-17-6-5-9-20(24-17)10-13-23-22(27)25-14-11-19(12-15-25)21(26)16-18-7-3-2-4-8-18/h2-9,19,21,26H,10-16H2,1H3,(H,23,27)/t21-/m1/s1
InChIKeyDGEXTHVWKIABBI-OAQYLSRUSA-N
XLogP2.96
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
CID 125141015
N-[2-(1-hydroxycyclopentyl)ethyl]-4-(1-hydroxy-2-phenylethyl)piperidine-1-carboxamide
CID 122557157
1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 91842444
N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 125441834
1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 70767388
4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 121499174
3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide
CID 122249689
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]ethanone
CID 124754602
(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
CID 70736964
4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 97039182
2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol
CID 95215735
N-[(1-ethylpyrazol-4-yl)methyl]-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide
CID 121495483

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide (CID 126428645) is 4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide is Cc1cccc(CCNC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide?
The InChIKey is DGEXTHVWKIABBI-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-6-5-9-20(24-17)10-13-23-22(27)25-14-11-19(12-15-25)21(26)16-18-7-3-2-4-8-18/h2-9,19,21,26H,10-16H2,1H3,(H,23,27)/t21-/m1/s1.
What are the key properties of 4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide?
4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 126428645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).