N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide

C21H33N3O2 — CID 55738194

IUPACN-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCCC(C)(C)NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H33N3O2/c1-4-21(2,3)23-20(26)16-24-14-12-18(13-15-24)22-19(25)11-10-17-8-6-5-7-9-17/h5-9,18H,4,10-16H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyOGONXKGVLKESRR-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.50
Rot. Bonds8

About N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55738194) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55738194
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCCC(C)(C)NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H33N3O2/c1-4-21(2,3)23-20(26)16-24-14-12-18(13-15-24)22-19(25)11-10-17-8-6-5-7-9-17/h5-9,18H,4,10-16H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyOGONXKGVLKESRR-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738132
N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738071
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738569
N-(1-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55853187
3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 51081790
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149186
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738004
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide (CID 55738194) is N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide is CCC(C)(C)NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is OGONXKGVLKESRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-4-21(2,3)23-20(26)16-24-14-12-18(13-15-24)22-19(25)11-10-17-8-6-5-7-9-17/h5-9,18H,4,10-16H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 359.51 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55738194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).