N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide

C21H32N4O3 — CID 55738132

IUPACN-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H32N4O3/c1-21(2,3)24-20(28)23-19(27)15-25-13-11-17(12-14-25)22-18(26)10-9-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,22,26)(H2,23,24,27,28)
InChIKeyDHFBBMUWZWPJTJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.82
Rot. Bonds6

About N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55738132) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55738132
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H32N4O3/c1-21(2,3)24-20(28)23-19(27)15-25-13-11-17(12-14-25)22-18(26)10-9-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,22,26)(H2,23,24,27,28)
InChIKeyDHFBBMUWZWPJTJ-UHFFFAOYSA-N
XLogP1.82
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738194
N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738071
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149186
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738569
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-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide
CID 146086990
N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738004

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide (CID 55738132) is N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide is CC(C)(C)NC(=O)NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is DHFBBMUWZWPJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-21(2,3)24-20(28)23-19(27)15-25-13-11-17(12-14-25)22-18(26)10-9-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,22,26)(H2,23,24,27,28).
What are the key properties of N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 388.51 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55738132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).