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

C20H28N2O3 — CID 110821946

IUPACN-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCOc1ccc(CCC(=O)N2CCC(NC(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-25-18-8-5-15(6-9-18)7-10-19(23)22-13-11-17(12-14-22)21-20(24)16-3-2-4-16/h5-6,8-9,16-17H,2-4,7,10-14H2,1H3,(H,21,24)
InChIKeyMERSZISBFBCFNA-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.54
Rot. Bonds6

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

N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 110821946) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
PubChem CID110821946
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCOc1ccc(CCC(=O)N2CCC(NC(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-25-18-8-5-15(6-9-18)7-10-19(23)22-13-11-17(12-14-22)21-20(24)16-3-2-4-16/h5-6,8-9,16-17H,2-4,7,10-14H2,1H3,(H,21,24)
InChIKeyMERSZISBFBCFNA-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-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110822113
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 110821944
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]butanamide
CID 110821940
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108549997
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
1-[3-(4-methoxyphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110350832
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836676
3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 62535020
ethyl [4-[[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108930466
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide (CID 110821946) is N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide is COc1ccc(CCC(=O)N2CCC(NC(=O)C3CCC3)CC2)cc1.
What is the InChIKey of N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is MERSZISBFBCFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-25-18-8-5-15(6-9-18)7-10-19(23)22-13-11-17(12-14-22)21-20(24)16-3-2-4-16/h5-6,8-9,16-17H,2-4,7,10-14H2,1H3,(H,21,24).
What are the key properties of N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide?
N-[1-[3-(4-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-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 110821946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).