(3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide

C25H33N3O3 — CID 34470758

IUPAC(3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
SMILESCOc1ccc([C@@H](CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)NC(C)=O)cc1
InChIInChI=1S/C25H33N3O3/c1-19(29)26-24(21-9-13-23(31-3)14-10-21)17-25(30)27(2)18-20-7-11-22(12-8-20)28-15-5-4-6-16-28/h7-14,24H,4-6,15-18H2,1-3H3,(H,26,29)/t24-/m1/s1
InChIKeyIEHAWRBBMYZYFQ-XMMPIXPASA-N
MW423.56 g/mol
LogP3.91
Rot. Bonds8

About (3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide

(3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide (PubChem CID 34470758) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is (3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
PubChem CID34470758
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name(3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
SMILESCOc1ccc([C@@H](CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)NC(C)=O)cc1
InChIInChI=1S/C25H33N3O3/c1-19(29)26-24(21-9-13-23(31-3)14-10-21)17-25(30)27(2)18-20-7-11-22(12-8-20)28-15-5-4-6-16-28/h7-14,24H,4-6,15-18H2,1-3H3,(H,26,29)/t24-/m1/s1
InChIKeyIEHAWRBBMYZYFQ-XMMPIXPASA-N
XLogP3.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78804503
(3R)-3-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 41303482
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55379448
N-[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 55919317
3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 86924803
N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 18072731
(3S)-3-acetamido-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 51954210
2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 46662291
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414
3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 55387919
N-methyl-2-(methylamino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 61254195
N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 43910482

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of (3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide (CID 34470758) is (3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for (3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for (3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide is COc1ccc([C@@H](CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)NC(C)=O)cc1.
What is the InChIKey of (3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
The InChIKey is IEHAWRBBMYZYFQ-XMMPIXPASA-N. The full InChI is InChI=1S/C25H33N3O3/c1-19(29)26-24(21-9-13-23(31-3)14-10-21)17-25(30)27(2)18-20-7-11-22(12-8-20)28-15-5-4-6-16-28/h7-14,24H,4-6,15-18H2,1-3H3,(H,26,29)/t24-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide has a molecular weight of 423.56 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 34470758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).