4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide

C17H26N2O3 — CID 119742824

IUPAC4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)COc2cccc(C)c2)CCNCC1
InChIInChI=1S/C17H26N2O3/c1-13-5-4-6-15(11-13)22-12-14(2)19-16(20)17(21-3)7-9-18-10-8-17/h4-6,11,14,18H,7-10,12H2,1-3H3,(H,19,20)
InChIKeyNEBCFZJYORTJRU-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.65
Rot. Bonds6

About 4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide

4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide (PubChem CID 119742824) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
PubChem CID119742824
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)COc2cccc(C)c2)CCNCC1
InChIInChI=1S/C17H26N2O3/c1-13-5-4-6-15(11-13)22-12-14(2)19-16(20)17(21-3)7-9-18-10-8-17/h4-6,11,14,18H,7-10,12H2,1-3H3,(H,19,20)
InChIKeyNEBCFZJYORTJRU-UHFFFAOYSA-N
XLogP1.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 56704
Roxatidine acetate
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CID 210238
2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837
2-(2,4-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 753654
N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide
CID 798624
2-(2-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 868068
N-cyclohexyl-4-(3-methylphenoxy)butanamide
CID 1565322
N-cyclohexyl-4-(2,5-dimethylphenoxy)butanamide
CID 1570418
N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 1720819
2-phenoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2077625

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide (CID 119742824) is 4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide is COC1(C(=O)NC(C)COc2cccc(C)c2)CCNCC1.
What is the InChIKey of 4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is NEBCFZJYORTJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-5-4-6-15(11-13)22-12-14(2)19-16(20)17(21-3)7-9-18-10-8-17/h4-6,11,14,18H,7-10,12H2,1-3H3,(H,19,20).
What are the key properties of 4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide?
4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 119742824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).