3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide

C20H24N2O3 — CID 146128757

IUPAC3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(CN2CCC(CO)C(O)C2)c1
InChIInChI=1S/C20H24N2O3/c23-14-17-9-10-22(13-19(17)24)12-15-5-4-6-16(11-15)20(25)21-18-7-2-1-3-8-18/h1-8,11,17,19,23-24H,9-10,12-14H2,(H,21,25)
InChIKeyKFNPXJZMRWGCBN-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.11
Rot. Bonds5

About 3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide

3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide (PubChem CID 146128757) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide
PubChem CID146128757
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(CN2CCC(CO)C(O)C2)c1
InChIInChI=1S/C20H24N2O3/c23-14-17-9-10-22(13-19(17)24)12-15-5-4-6-16(11-15)20(25)21-18-7-2-1-3-8-18/h1-8,11,17,19,23-24H,9-10,12-14H2,(H,21,25)
InChIKeyKFNPXJZMRWGCBN-UHFFFAOYSA-N
XLogP2.11
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide
CID 146143912
3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide
CID 60523650
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea
CID 98775527
3-[[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]benzoic acid
CID 136583635
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872361
3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide
CID 56707701
3-[[1-benzyl-4-(hydroxymethyl)piperidin-3-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166382027
N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
CID 130255032
3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 114801981
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361

Frequently Asked Questions

What is the IUPAC name of 3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide?
The IUPAC name of 3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide (CID 146128757) is 3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(CN2CCC(CO)C(O)C2)c1.
What is the InChIKey of 3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide?
The InChIKey is KFNPXJZMRWGCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-14-17-9-10-22(13-19(17)24)12-15-5-4-6-16(11-15)20(25)21-18-7-2-1-3-8-18/h1-8,11,17,19,23-24H,9-10,12-14H2,(H,21,25).
What are the key properties of 3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide?
3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide is sourced from PubChem (CID 146128757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).