3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide

C23H34N2O4 — CID 60611279

IUPAC3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
SMILESCCC(C(=O)N1CCC(NC(=O)CCOCC2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C23H34N2O4/c1-2-21(18-7-4-3-5-8-18)23(27)25-13-10-19(11-14-25)24-22(26)12-16-28-17-20-9-6-15-29-20/h3-5,7-8,19-21H,2,6,9-17H2,1H3,(H,24,26)
InChIKeyVXSLUPPUTILVSD-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.87
Rot. Bonds9

About 3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide

3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide (PubChem CID 60611279) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
PubChem CID60611279
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Name3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
SMILESCCC(C(=O)N1CCC(NC(=O)CCOCC2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C23H34N2O4/c1-2-21(18-7-4-3-5-8-18)23(27)25-13-10-19(11-14-25)24-22(26)12-16-28-17-20-9-6-15-29-20/h3-5,7-8,19-21H,2,6,9-17H2,1H3,(H,24,26)
InChIKeyVXSLUPPUTILVSD-UHFFFAOYSA-N
XLogP2.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119763651
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide
CID 95636078
N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124628014
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 95906118
N-(1-benzylpiperidin-4-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 164638299
2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
CID 60611058
N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
CID 51102722
2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 120791093
N-[1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46455343

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide (CID 60611279) is 3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide is CCC(C(=O)N1CCC(NC(=O)CCOCC2CCCO2)CC1)c1ccccc1.
What is the InChIKey of 3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide?
The InChIKey is VXSLUPPUTILVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-2-21(18-7-4-3-5-8-18)23(27)25-13-10-19(11-14-25)24-22(26)12-16-28-17-20-9-6-15-29-20/h3-5,7-8,19-21H,2,6,9-17H2,1H3,(H,24,26).
What are the key properties of 3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide?
3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide has a molecular weight of 402.54 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 60611279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).