N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide

C20H28N2O3 — CID 110822113

IUPACN-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCOc1cccc(CCC(=O)N2CCC(NC(=O)C3CCC3)CC2)c1
InChIInChI=1S/C20H28N2O3/c1-25-18-7-2-4-15(14-18)8-9-19(23)22-12-10-17(11-13-22)21-20(24)16-5-3-6-16/h2,4,7,14,16-17H,3,5-6,8-13H2,1H3,(H,21,24)
InChIKeyUYPXXWWWPDFJNZ-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.54
Rot. Bonds6

About N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide

N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 110822113) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
PubChem CID110822113
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCOc1cccc(CCC(=O)N2CCC(NC(=O)C3CCC3)CC2)c1
InChIInChI=1S/C20H28N2O3/c1-25-18-7-2-4-15(14-18)8-9-19(23)22-12-10-17(11-13-22)21-20(24)16-5-3-6-16/h2,4,7,14,16-17H,3,5-6,8-13H2,1H3,(H,21,24)
InChIKeyUYPXXWWWPDFJNZ-UHFFFAOYSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110821946
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575446
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836658
3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536925
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004717
N-[3-(1-methoxycyclopropyl)-1-[3-(3-methoxyphenyl)propanoyl]azetidin-3-yl]cyclopentanecarboxamide
CID 154578896
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
1-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110721211

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide (CID 110822113) is N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide is COc1cccc(CCC(=O)N2CCC(NC(=O)C3CCC3)CC2)c1.
What is the InChIKey of N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is UYPXXWWWPDFJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-25-18-7-2-4-15(14-18)8-9-19(23)22-12-10-17(11-13-22)21-20(24)16-5-3-6-16/h2,4,7,14,16-17H,3,5-6,8-13H2,1H3,(H,21,24).
What are the key properties of N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide?
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 110822113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).