3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide

C25H33N3O6 — CID 11719777

IUPAC3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide
SMILESCOC[C@H](NC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)C(=O)NC1CCNCC1
InChIInChI=1S/C25H33N3O6/c1-31-16-20(25(30)27-19-9-11-26-12-10-19)28-24(29)18-13-21(32-2)23(22(14-18)33-3)34-15-17-7-5-4-6-8-17/h4-8,13-14,19-20,26H,9-12,15-16H2,1-3H3,(H,27,30)(H,28,29)/t20-/m0/s1
InChIKeyPLWLCEUYTJIMHP-FQEVSTJZSA-N
MW471.55 g/mol
LogP1.90
Rot. Bonds11

About 3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide

3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide (PubChem CID 11719777) has the molecular formula C25H33N3O6 and a molecular weight of 471.55 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide
PubChem CID11719777
Molecular FormulaC25H33N3O6
Molecular Weight471.55 g/mol
Exact Mass471.24
IUPAC Name3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide
SMILESCOC[C@H](NC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)C(=O)NC1CCNCC1
InChIInChI=1S/C25H33N3O6/c1-31-16-20(25(30)27-19-9-11-26-12-10-19)28-24(29)18-13-21(32-2)23(22(14-18)33-3)34-15-17-7-5-4-6-8-17/h4-8,13-14,19-20,26H,9-12,15-16H2,1-3H3,(H,27,30)(H,28,29)/t20-/m0/s1
InChIKeyPLWLCEUYTJIMHP-FQEVSTJZSA-N
XLogP1.90
TPSA107.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119616315
3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443555
3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 163363376
4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide
CID 11606261
N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 6723761
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
N-[(2S)-1-[[1-(dimethylamino)cyclopentyl]methylamino]-3-methoxy-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methoxy]-3,5-dimethoxybenzamide;hydrochloride
CID 11548658
methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate
CID 142728752
N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride
CID 119424821
3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55803613
2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 652749

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide?
The IUPAC name of 3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide (CID 11719777) is 3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide is COC[C@H](NC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)C(=O)NC1CCNCC1.
What is the InChIKey of 3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide?
The InChIKey is PLWLCEUYTJIMHP-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H33N3O6/c1-31-16-20(25(30)27-19-9-11-26-12-10-19)28-24(29)18-13-21(32-2)23(22(14-18)33-3)34-15-17-7-5-4-6-8-17/h4-8,13-14,19-20,26H,9-12,15-16H2,1-3H3,(H,27,30)(H,28,29)/t20-/m0/s1.
What are the key properties of 3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide?
3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide has a molecular weight of 471.55 g/mol, XLogP of 1.90, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 11719777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).