N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide

C19H28N2O2 — CID 136515050

IUPACN-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCN(C2CCOC2)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-2-18(15-6-4-3-5-7-15)19(22)20-16-8-11-21(12-9-16)17-10-13-23-14-17/h3-7,16-18H,2,8-14H2,1H3,(H,20,22)
InChIKeyKVDSXGYQLFOZKM-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.55
Rot. Bonds5

About N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide

N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide (PubChem CID 136515050) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide
PubChem CID136515050
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCN(C2CCOC2)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-2-18(15-6-4-3-5-7-15)19(22)20-16-8-11-21(12-9-16)17-10-13-23-14-17/h3-7,16-18H,2,8-14H2,1H3,(H,20,22)
InChIKeyKVDSXGYQLFOZKM-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(morpholin-4-yl)propyl]-2,2-diphenylacetamide
CID 2166461
Ethyl 4-[(phenylacetyl)amino]piperidine-1-carboxylate
CID 5127120
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide
CID 2164117
2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 889499
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
Ethyl 4-[(3-phenylpropanoyl)amino]piperidine-1-carboxylate
CID 4566793
2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 6466086
2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6466545
1-Morpholino-2,2-diphenylethanone
CID 229280
N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 885902
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
CID 9950970
2-Cyclopentyl-N-[3-(2,6-dimethyl-piperidin-1-yl)-propyl]-2-phenyl-acetamide
CID 14973192

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide?
The IUPAC name of N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide (CID 136515050) is N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide.
What is the SMILES notation for N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide?
The canonical SMILES for N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide is CCC(C(=O)NC1CCN(C2CCOC2)CC1)c1ccccc1.
What is the InChIKey of N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide?
The InChIKey is KVDSXGYQLFOZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-18(15-6-4-3-5-7-15)19(22)20-16-8-11-21(12-9-16)17-10-13-23-14-17/h3-7,16-18H,2,8-14H2,1H3,(H,20,22).
What are the key properties of N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide?
N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide has a molecular weight of 316.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenylbutanamide is sourced from PubChem (CID 136515050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).