1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

C22H29N3O3 — CID 87013245

IUPAC1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(OCC(O)CN2CCCC(C(=O)Nc3ccc(C)cn3)C2)cc1
InChIInChI=1S/C22H29N3O3/c1-16-5-8-20(9-6-16)28-15-19(26)14-25-11-3-4-18(13-25)22(27)24-21-10-7-17(2)12-23-21/h5-10,12,18-19,26H,3-4,11,13-15H2,1-2H3,(H,23,24,27)
InChIKeyPLITYVWWBUYHPT-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.79
Rot. Bonds7

About 1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 87013245) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID87013245
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(OCC(O)CN2CCCC(C(=O)Nc3ccc(C)cn3)C2)cc1
InChIInChI=1S/C22H29N3O3/c1-16-5-8-20(9-6-16)28-15-19(26)14-25-11-3-4-18(13-25)22(27)24-21-10-7-17(2)12-23-21/h5-10,12,18-19,26H,3-4,11,13-15H2,1-2H3,(H,23,24,27)
InChIKeyPLITYVWWBUYHPT-UHFFFAOYSA-N
XLogP2.79
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55506480
1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 111113624
(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol
CID 100835791
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
(3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide
CID 96567281
N-(cyclopropylmethyl)-1-(2-hydroxy-3-phenoxypropyl)piperidine-3-carboxamide
CID 110892635
N-[[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110922141
1-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 75521225
(3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide
CID 100841093
ethyl (3S)-1-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-3-carboxylate
CID 7187794
(3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 97006497
N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide
CID 51422944

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 87013245) is 1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccc(OCC(O)CN2CCCC(C(=O)Nc3ccc(C)cn3)C2)cc1.
What is the InChIKey of 1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is PLITYVWWBUYHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16-5-8-20(9-6-16)28-15-19(26)14-25-11-3-4-18(13-25)22(27)24-21-10-7-17(2)12-23-21/h5-10,12,18-19,26H,3-4,11,13-15H2,1-2H3,(H,23,24,27).
What are the key properties of 1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 87013245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).