N-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide

C18H27N3O4 — CID 176705733

IUPACN-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
SMILESO=C(NC1CCC(O)NC1O)c1ccc(N2CCC(CO)CC2)cc1
InChIInChI=1S/C18H27N3O4/c22-11-12-7-9-21(10-8-12)14-3-1-13(2-4-14)17(24)19-15-5-6-16(23)20-18(15)25/h1-4,12,15-16,18,20,22-23,25H,5-11H2,(H,19,24)
InChIKeyBWVMQBCLCAINJG-UHFFFAOYSA-N
MW349.43 g/mol
LogP0.01
Rot. Bonds4

About N-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide

N-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide (PubChem CID 176705733) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
PubChem CID176705733
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
SMILESO=C(NC1CCC(O)NC1O)c1ccc(N2CCC(CO)CC2)cc1
InChIInChI=1S/C18H27N3O4/c22-11-12-7-9-21(10-8-12)14-3-1-13(2-4-14)17(24)19-15-5-6-16(23)20-18(15)25/h1-4,12,15-16,18,20,22-23,25H,5-11H2,(H,19,24)
InChIKeyBWVMQBCLCAINJG-UHFFFAOYSA-N
XLogP0.01
TPSA105.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide 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

N-cyclopentyl-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 166847333
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide
CID 154823860
3-[4-[(4-piperazin-1-ylbenzoyl)amino]cyclohexyl]propanoic acid
CID 67844654
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653
N-[(3R,5S)-1-(3-chloro-4-cyanophenyl)-5-methylpyrrolidin-3-yl]-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 166847328
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
(2S)-2-[4-[4-(hydroxymethyl)piperidin-1-yl]anilino]propanoic acid
CID 67550722
N-[3-(3-chloro-4-cyanocyclohexa-1,5-dien-1-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 163985063
N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide
CID 91772007
4-[4-(hydroxymethyl)piperidin-1-yl]-2-methylbenzoic acid
CID 113400000
4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 61146860
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide
CID 91761594

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
The IUPAC name of N-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide (CID 176705733) is N-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide.
What is the SMILES notation for N-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
The canonical SMILES for N-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide is O=C(NC1CCC(O)NC1O)c1ccc(N2CCC(CO)CC2)cc1.
What is the InChIKey of N-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
The InChIKey is BWVMQBCLCAINJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c22-11-12-7-9-21(10-8-12)14-3-1-13(2-4-14)17(24)19-15-5-6-16(23)20-18(15)25/h1-4,12,15-16,18,20,22-23,25H,5-11H2,(H,19,24).
What are the key properties of N-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide?
N-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 0.01, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dihydroxypiperidin-3-yl)-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide is sourced from PubChem (CID 176705733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).