2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide

C17H26N2O2 — CID 143478398

IUPAC2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(CNC(=O)C(O)CC2CCN(C)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13-3-5-15(6-4-13)12-18-17(21)16(20)11-14-7-9-19(2)10-8-14/h3-6,14,16,20H,7-12H2,1-2H3,(H,18,21)
InChIKeyGIMAVJCVWNQAQD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.70
Rot. Bonds5

About 2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide

2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide (PubChem CID 143478398) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide
PubChem CID143478398
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(CNC(=O)C(O)CC2CCN(C)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13-3-5-15(6-4-13)12-18-17(21)16(20)11-14-7-9-19(2)10-8-14/h3-6,14,16,20H,7-12H2,1-2H3,(H,18,21)
InChIKeyGIMAVJCVWNQAQD-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855729
2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 110409297
N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517042
2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
CID 3659173
(2S)-3-cyclohexyl-2-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 129433174
2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110754744
N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886512
N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 20907522
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 110880118
1-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108899107
1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110687248
(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 9276528

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide (CID 143478398) is 2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide is Cc1ccc(CNC(=O)C(O)CC2CCN(C)CC2)cc1.
What is the InChIKey of 2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is GIMAVJCVWNQAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-3-5-15(6-4-13)12-18-17(21)16(20)11-14-7-9-19(2)10-8-14/h3-6,14,16,20H,7-12H2,1-2H3,(H,18,21).
What are the key properties of 2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide?
2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 143478398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).