N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide

C21H33N3O4 — CID 142241817

IUPACN-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide
SMILESCOc1cccc(CNCC(O)CNC(=O)CCCC(=O)N2CCCCC2)c1
InChIInChI=1S/C21H33N3O4/c1-28-19-8-5-7-17(13-19)14-22-15-18(25)16-23-20(26)9-6-10-21(27)24-11-3-2-4-12-24/h5,7-8,13,18,22,25H,2-4,6,9-12,14-16H2,1H3,(H,23,26)
InChIKeyKYPRDFXLADCFCT-UHFFFAOYSA-N
MW391.51 g/mol
LogP1.44
Rot. Bonds11

About N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide

N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide (PubChem CID 142241817) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide
PubChem CID142241817
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC NameN-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide
SMILESCOc1cccc(CNCC(O)CNC(=O)CCCC(=O)N2CCCCC2)c1
InChIInChI=1S/C21H33N3O4/c1-28-19-8-5-7-17(13-19)14-22-15-18(25)16-23-20(26)9-6-10-21(27)24-11-3-2-4-12-24/h5,7-8,13,18,22,25H,2-4,6,9-12,14-16H2,1H3,(H,23,26)
InChIKeyKYPRDFXLADCFCT-UHFFFAOYSA-N
XLogP1.44
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide with MolForge

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Related Compounds

methyl 5-[[(2R)-1-[[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]amino]-1,5-dioxo-5-piperidin-1-ylpentan-2-yl]amino]-5-oxopentanoate
CID 58759967
5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
CID 56974731
3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013797
[(2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-yl] (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate
CID 140519254
methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate
CID 115123590
methyl 4-[[(2R)-1-[[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]amino]-1,5-dioxo-5-piperidin-1-ylpentan-2-yl]amino]-4-oxobutanoate;hydrochloride
CID 68608360
1-[4-[2-(3-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797234
ethyl 3-[[(2R)-1-[[(2S,3S)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]amino]-1,5-dioxo-5-piperidin-1-ylpentan-2-yl]amino]-3-oxopropanoate;hydrochloride
CID 69419919
[(2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-yl] (2R)-2-[(4-methoxy-4-oxobutanoyl)amino]-5-oxo-5-piperidin-1-ylpentanoate
CID 69322277
N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)propanamide
CID 111102377
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
benzyl N-[(2R)-1-[[(2S,3S)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]amino]-1,5-dioxo-5-piperidin-1-ylpentan-2-yl]carbamate;hydrochloride
CID 68607751

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide?
The IUPAC name of N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide (CID 142241817) is N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide.
What is the SMILES notation for N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide?
The canonical SMILES for N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide is COc1cccc(CNCC(O)CNC(=O)CCCC(=O)N2CCCCC2)c1.
What is the InChIKey of N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide?
The InChIKey is KYPRDFXLADCFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-28-19-8-5-7-17(13-19)14-22-15-18(25)16-23-20(26)9-6-10-21(27)24-11-3-2-4-12-24/h5,7-8,13,18,22,25H,2-4,6,9-12,14-16H2,1H3,(H,23,26).
What are the key properties of N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide?
N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide has a molecular weight of 391.51 g/mol, XLogP of 1.44, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-oxo-5-piperidin-1-ylpentanamide is sourced from PubChem (CID 142241817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).