1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide

C23H35N3O4 — CID 73149300

IUPAC1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide
SMILESCCC1CN(Cc2ccc(OC)cc2O)CCC1CC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C23H35N3O4/c1-3-16-14-25(15-19-4-5-20(30-2)13-21(19)27)9-6-18(16)12-22(28)26-10-7-17(8-11-26)23(24)29/h4-5,13,16-18,27H,3,6-12,14-15H2,1-2H3,(H2,24,29)
InChIKeyPWCIRXZHBPFAAL-UHFFFAOYSA-N
MW417.55 g/mol
LogP2.36
Rot. Bonds7

About 1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide

1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide (PubChem CID 73149300) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is 1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide
PubChem CID73149300
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Name1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide
SMILESCCC1CN(Cc2ccc(OC)cc2O)CCC1CC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C23H35N3O4/c1-3-16-14-25(15-19-4-5-20(30-2)13-21(19)27)9-6-18(16)12-22(28)26-10-7-17(8-11-26)23(24)29/h4-5,13,16-18,27H,3,6-12,14-15H2,1-2H3,(H2,24,29)
InChIKeyPWCIRXZHBPFAAL-UHFFFAOYSA-N
XLogP2.36
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 163139330
2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-hydroxyphenyl)acetamide
CID 73149093
2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 163177193
1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 110769975
2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol
CID 62067190
5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol
CID 112548941
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
1-[2-[(3S,4S)-1-(2-chloropyridine-4-carbonyl)-3-ethylpiperidin-4-yl]acetyl]piperidine-4-carboxamide
CID 162874755
5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol
CID 82983416
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
CID 81457163
1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
CID 2845869
(3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide
CID 97252909

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide (CID 73149300) is 1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide is CCC1CN(Cc2ccc(OC)cc2O)CCC1CC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is PWCIRXZHBPFAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-3-16-14-25(15-19-4-5-20(30-2)13-21(19)27)9-6-18(16)12-22(28)26-10-7-17(8-11-26)23(24)29/h4-5,13,16-18,27H,3,6-12,14-15H2,1-2H3,(H2,24,29).
What are the key properties of 1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide?
1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 73149300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).