N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide

C19H30N2O3 — CID 111697213

IUPACN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NCc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C19H30N2O3/c1-15(2)24-12-9-19(23)20-13-16-5-3-4-6-17(16)14-21-10-7-18(22)8-11-21/h3-6,15,18,22H,7-14H2,1-2H3,(H,20,23)
InChIKeyKZFUREWHPHDUTD-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.07
Rot. Bonds8

About N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide (PubChem CID 111697213) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide
PubChem CID111697213
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NCc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C19H30N2O3/c1-15(2)24-12-9-19(23)20-13-16-5-3-4-6-17(16)14-21-10-7-18(22)8-11-21/h3-6,15,18,22H,7-14H2,1-2H3,(H,20,23)
InChIKeyKZFUREWHPHDUTD-UHFFFAOYSA-N
XLogP2.07
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methylsulfanylbutanamide
CID 111697205
2-(4-aminophenyl)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119895665
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-[(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
N-[2-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 154839761
tert-butyl 3-[1-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]ethyl]azetidine-1-carboxylate
CID 119037389
4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide
CID 120565155
1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111925768
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide (CID 111697213) is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)NCc1ccccc1CN1CCC(O)CC1.
What is the InChIKey of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide?
The InChIKey is KZFUREWHPHDUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(2)24-12-9-19(23)20-13-16-5-3-4-6-17(16)14-21-10-7-18(22)8-11-21/h3-6,15,18,22H,7-14H2,1-2H3,(H,20,23).
What are the key properties of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide?
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide has a molecular weight of 334.46 g/mol, XLogP of 2.07, 8 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]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 111697213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).