N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide

C26H42N2O3 — CID 71124949

IUPACN-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide
SMILESCOCCOc1ccc(C(C)N2CCC(NC(=O)C3CCCCCC3)CC2)c(C)c1C
InChIInChI=1S/C26H42N2O3/c1-19-20(2)25(31-18-17-30-4)12-11-24(19)21(3)28-15-13-23(14-16-28)27-26(29)22-9-7-5-6-8-10-22/h11-12,21-23H,5-10,13-18H2,1-4H3,(H,27,29)
InChIKeyDLYNECFKQGQRJG-UHFFFAOYSA-N
MW430.63 g/mol
LogP4.94
Rot. Bonds8

About N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide

N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide (PubChem CID 71124949) has the molecular formula C26H42N2O3 and a molecular weight of 430.63 g/mol. Its IUPAC name is N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide
PubChem CID71124949
Molecular FormulaC26H42N2O3
Molecular Weight430.63 g/mol
Exact Mass430.32
IUPAC NameN-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide
SMILESCOCCOc1ccc(C(C)N2CCC(NC(=O)C3CCCCCC3)CC2)c(C)c1C
InChIInChI=1S/C26H42N2O3/c1-19-20(2)25(31-18-17-30-4)12-11-24(19)21(3)28-15-13-23(14-16-28)27-26(29)22-9-7-5-6-8-10-22/h11-12,21-23H,5-10,13-18H2,1-4H3,(H,27,29)
InChIKeyDLYNECFKQGQRJG-UHFFFAOYSA-N
XLogP4.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.63
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide
CID 143622790
N-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 176652835
2-[3-[4-(dimethylamino)butoxy]-5-methoxyphenyl]-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-yl]acetamide
CID 143622611
N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 71124574
1-acetyl-N-[[1-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]azetidin-3-yl]methyl]piperidine-3-carboxamide
CID 71124615
2-[2-[4-(cyclohexanecarbonylamino)piperidin-1-yl]ethoxy]benzoic acid
CID 126785814
3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide
CID 71124578
N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860877
5-ethynyl-N-[8-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide
CID 24966612
[4-[1-[4-[2-(cyclobutylamino)ethoxy]-2,3-dimethylphenyl]ethyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 69367657
1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide
CID 131736798
2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide
CID 71124980

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide?
The IUPAC name of N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide (CID 71124949) is N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide.
What is the SMILES notation for N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide?
The canonical SMILES for N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide is COCCOc1ccc(C(C)N2CCC(NC(=O)C3CCCCCC3)CC2)c(C)c1C.
What is the InChIKey of N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide?
The InChIKey is DLYNECFKQGQRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O3/c1-19-20(2)25(31-18-17-30-4)12-11-24(19)21(3)28-15-13-23(14-16-28)27-26(29)22-9-7-5-6-8-10-22/h11-12,21-23H,5-10,13-18H2,1-4H3,(H,27,29).
What are the key properties of N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide?
N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide has a molecular weight of 430.63 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide is sourced from PubChem (CID 71124949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).