N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide

C20H30N2O3 — CID 71980057

IUPACN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C20H30N2O3/c23-19-5-9-22(10-6-19)15-18-4-2-1-3-17(18)14-21-20(24)13-16-7-11-25-12-8-16/h1-4,16,19,23H,5-15H2,(H,21,24)
InChIKeyIOLHGXNBQGCNNJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.08
Rot. Bonds6

About N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 71980057) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID71980057
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C20H30N2O3/c23-19-5-9-22(10-6-19)15-18-4-2-1-3-17(18)14-21-20(24)13-16-7-11-25-12-8-16/h1-4,16,19,23H,5-15H2,(H,21,24)
InChIKeyIOLHGXNBQGCNNJ-UHFFFAOYSA-N
XLogP2.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide 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-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride
CID 119834762
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
2-(4-aminophenyl)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119895665
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503666
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methylsulfanylbutanamide
CID 111697205
3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119954117
2,2-dimethyl-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]propanamide
CID 31444039
2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431902
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide
CID 111697213
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methylpyrrolidin-1-yl)acetamide
CID 111781740

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide (CID 71980057) is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)NCc1ccccc1CN1CCC(O)CC1.
What is the InChIKey of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is IOLHGXNBQGCNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-19-5-9-22(10-6-19)15-18-4-2-1-3-17(18)14-21-20(24)13-16-7-11-25-12-8-16/h1-4,16,19,23H,5-15H2,(H,21,24).
What are the key properties of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide?
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 71980057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).