3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide

C19H30N2O2 — CID 110025148

IUPAC3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide
SMILESCCCN1CCC(CNC(=O)CC(C)(O)c2ccccc2)CC1
InChIInChI=1S/C19H30N2O2/c1-3-11-21-12-9-16(10-13-21)15-20-18(22)14-19(2,23)17-7-5-4-6-8-17/h4-8,16,23H,3,9-15H2,1-2H3,(H,20,22)
InChIKeyLSRBVWBKBYNHSZ-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.52
Rot. Bonds7

About 3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide

3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide (PubChem CID 110025148) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide.

Molecular Properties

Compound Name3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide
PubChem CID110025148
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide
SMILESCCCN1CCC(CNC(=O)CC(C)(O)c2ccccc2)CC1
InChIInChI=1S/C19H30N2O2/c1-3-11-21-12-9-16(10-13-21)15-20-18(22)14-19(2,23)17-7-5-4-6-8-17/h4-8,16,23H,3,9-15H2,1-2H3,(H,20,22)
InChIKeyLSRBVWBKBYNHSZ-UHFFFAOYSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110026477
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506
2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol
CID 62374506
N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
CID 110307449
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide
CID 120595902
2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119861461
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol
CID 63847704
N-[2-oxo-2-[[3-oxo-3-[[(3R)-1-propylpiperidin-3-yl]methylamino]propyl]amino]ethyl]-3,3,3-triphenylpropanamide
CID 69101431
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
CID 110024824
4-(cyclopentylmethylamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43529089
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide?
The IUPAC name of 3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide (CID 110025148) is 3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide.
What is the SMILES notation for 3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide?
The canonical SMILES for 3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide is CCCN1CCC(CNC(=O)CC(C)(O)c2ccccc2)CC1.
What is the InChIKey of 3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide?
The InChIKey is LSRBVWBKBYNHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-11-21-12-9-16(10-13-21)15-20-18(22)14-19(2,23)17-7-5-4-6-8-17/h4-8,16,23H,3,9-15H2,1-2H3,(H,20,22).
What are the key properties of 3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide?
3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide has a molecular weight of 318.46 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide is sourced from PubChem (CID 110025148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).