N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide

C25H32N2O4 — CID 25381029

IUPACN-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)COc3ccc(C)cc3)C2)c(C)c1
InChIInChI=1S/C25H32N2O4/c1-18-6-9-21(10-7-18)31-17-25(29)27-14-4-5-20(16-27)8-13-24(28)26-23-12-11-22(30-3)15-19(23)2/h6-7,9-12,15,20H,4-5,8,13-14,16-17H2,1-3H3,(H,26,28)/t20-/m0/s1
InChIKeyLLSVLTIQTCIOCW-FQEVSTJZSA-N
MW424.54 g/mol
LogP4.35
Rot. Bonds8

About N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide

N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide (PubChem CID 25381029) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide
PubChem CID25381029
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)COc3ccc(C)cc3)C2)c(C)c1
InChIInChI=1S/C25H32N2O4/c1-18-6-9-21(10-7-18)31-17-25(29)27-14-4-5-20(16-27)8-13-24(28)26-23-12-11-22(30-3)15-19(23)2/h6-7,9-12,15,20H,4-5,8,13-14,16-17H2,1-3H3,(H,26,28)/t20-/m0/s1
InChIKeyLLSVLTIQTCIOCW-FQEVSTJZSA-N
XLogP4.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 97281101
N-(4-methoxy-2-methylphenyl)-3-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 72909680
methyl 5-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42558129
N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45200068
3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 42195877
3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 25486755
N-(4-methoxy-2-methylphenyl)-3-[1-(4-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 56709077
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 25301291
N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide
CID 45193218
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide
CID 26399957
3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 26403321
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide
CID 26411725

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide (CID 25381029) is N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide is COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)COc3ccc(C)cc3)C2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide?
The InChIKey is LLSVLTIQTCIOCW-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-18-6-9-21(10-7-18)31-17-25(29)27-14-4-5-20(16-27)8-13-24(28)26-23-12-11-22(30-3)15-19(23)2/h6-7,9-12,15,20H,4-5,8,13-14,16-17H2,1-3H3,(H,26,28)/t20-/m0/s1.
What are the key properties of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide?
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide has a molecular weight of 424.54 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 25381029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).