N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide

C21H32N2O3 — CID 55949745

IUPACN-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C21H32N2O3/c1-4-17(5-2)21(25)23-14-12-18(13-15-23)22-20(24)11-8-16-6-9-19(26-3)10-7-16/h6-7,9-10,17-18H,4-5,8,11-15H2,1-3H3,(H,22,24)
InChIKeyQKLDTEYIDBQMQX-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.17
Rot. Bonds8

About N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 55949745) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID55949745
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C21H32N2O3/c1-4-17(5-2)21(25)23-14-12-18(13-15-23)22-20(24)11-8-16-6-9-19(26-3)10-7-16/h6-7,9-10,17-18H,4-5,8,11-15H2,1-3H3,(H,22,24)
InChIKeyQKLDTEYIDBQMQX-UHFFFAOYSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylpiperidin-4-yl)-3-(4-methoxyphenyl)propanamide
CID 17250230
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]butanamide
CID 110821940
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373
N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55962161
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149409
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide
CID 86945191
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149186
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide (CID 55949745) is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide is CCC(CC)C(=O)N1CCC(NC(=O)CCc2ccc(OC)cc2)CC1.
What is the InChIKey of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is QKLDTEYIDBQMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-4-17(5-2)21(25)23-14-12-18(13-15-23)22-20(24)11-8-16-6-9-19(26-3)10-7-16/h6-7,9-10,17-18H,4-5,8,11-15H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide?
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 360.50 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 55949745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).