N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide

C19H28N2O4 — CID 125416740

IUPACN-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CO[C@@H](CN3CCC(C)CC3)[C@@H]2O)cc1
InChIInChI=1S/C19H28N2O4/c1-13-7-9-21(10-8-13)11-17-18(22)16(12-25-17)20-19(23)14-3-5-15(24-2)6-4-14/h3-6,13,16-18,22H,7-12H2,1-2H3,(H,20,23)/t16-,17-,18+/m0/s1
InChIKeyCPDHMWDYDDLEEU-OKZBNKHCSA-N
MW348.44 g/mol
LogP1.29
Rot. Bonds5

About N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide

N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide (PubChem CID 125416740) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide
PubChem CID125416740
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CO[C@@H](CN3CCC(C)CC3)[C@@H]2O)cc1
InChIInChI=1S/C19H28N2O4/c1-13-7-9-21(10-8-13)11-17-18(22)16(12-25-17)20-19(23)14-3-5-15(24-2)6-4-14/h3-6,13,16-18,22H,7-12H2,1-2H3,(H,20,23)/t16-,17-,18+/m0/s1
InChIKeyCPDHMWDYDDLEEU-OKZBNKHCSA-N
XLogP1.29
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide
CID 125417422
4-methoxy-N-[2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]benzamide
CID 74340324
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide
CID 125417642
1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea
CID 125417649
N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide
CID 146504792
4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol
CID 162799447
1-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea
CID 162847650
1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea
CID 125417379
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
CID 125417244
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 159696252
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-4-hydroxyoxolan-3-yl]-3-fluorobenzamide
CID 163072842

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide (CID 125416740) is N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H]2CO[C@@H](CN3CCC(C)CC3)[C@@H]2O)cc1.
What is the InChIKey of N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide?
The InChIKey is CPDHMWDYDDLEEU-OKZBNKHCSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13-7-9-21(10-8-13)11-17-18(22)16(12-25-17)20-19(23)14-3-5-15(24-2)6-4-14/h3-6,13,16-18,22H,7-12H2,1-2H3,(H,20,23)/t16-,17-,18+/m0/s1.
What are the key properties of N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide?
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide has a molecular weight of 348.44 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 125416740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).