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

C16H24N2O2 — CID 111520289

IUPACN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C16H24N2O2/c1-2-16(20)17-11-13-5-3-4-6-14(13)12-18-9-7-15(19)8-10-18/h3-6,15,19H,2,7-12H2,1H3,(H,17,20)
InChIKeyACLXTQLLFOATIU-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.67
Rot. Bonds5

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

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 111520289) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID111520289
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C16H24N2O2/c1-2-16(20)17-11-13-5-3-4-6-14(13)12-18-9-7-15(19)8-10-18/h3-6,15,19H,2,7-12H2,1H3,(H,17,20)
InChIKeyACLXTQLLFOATIU-UHFFFAOYSA-N
XLogP1.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119895665
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methylsulfanylbutanamide
CID 111697205
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
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 71980057
3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119954117
1-butan-2-yl-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylurea
CID 111796216
N-[2-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 154839761
2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119947378
1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119895679
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide
CID 111520307
2-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845171

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide (CID 111520289) is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide is CCC(=O)NCc1ccccc1CN1CCC(O)CC1.
What is the InChIKey of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is ACLXTQLLFOATIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-16(20)17-11-13-5-3-4-6-14(13)12-18-9-7-15(19)8-10-18/h3-6,15,19H,2,7-12H2,1H3,(H,17,20).
What are the key properties of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 111520289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).