N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide

C20H30N4O3 — CID 55738071

IUPACN-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCCCNC(=O)NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H30N4O3/c1-2-12-21-20(27)23-19(26)15-24-13-10-17(11-14-24)22-18(25)9-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,22,25)(H2,21,23,26,27)
InChIKeySJDBQNGBFIJSAZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.44
Rot. Bonds8

About N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55738071) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55738071
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCCCNC(=O)NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H30N4O3/c1-2-12-21-20(27)23-19(26)15-24-13-10-17(11-14-24)22-18(25)9-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,22,25)(H2,21,23,26,27)
InChIKeySJDBQNGBFIJSAZ-UHFFFAOYSA-N
XLogP1.44
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738132
N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738194
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-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-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
ethyl 4-[4-(3-phenylpropanoylamino)butanoylamino]piperidine-1-carboxylate
CID 39611703
4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
CID 39146511

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide (CID 55738071) is N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide is CCCNC(=O)NC(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is SJDBQNGBFIJSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-2-12-21-20(27)23-19(26)15-24-13-10-17(11-14-24)22-18(25)9-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,22,25)(H2,21,23,26,27).
What are the key properties of N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 374.49 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55738071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).