N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide

C18H26N4O3 — CID 42949633

IUPACN-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(N)=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C18H26N4O3/c1-13(15(23)20-17(19)25)21-9-11-22(12-10-21)16(24)18(2,3)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H3,19,20,23,25)
InChIKeyBUARRNSXEKJXLQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.69
Rot. Bonds4

About N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide

N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide (PubChem CID 42949633) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
PubChem CID42949633
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(N)=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C18H26N4O3/c1-13(15(23)20-17(19)25)21-9-11-22(12-10-21)16(24)18(2,3)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H3,19,20,23,25)
InChIKeyBUARRNSXEKJXLQ-UHFFFAOYSA-N
XLogP0.69
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 55565482
2-methyl-1-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 46571664
N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 55565579
2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 46571611
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119517891
N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide
CID 110190883
(2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 32721522
(2S)-N-carbamoyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 30956417
2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 112766333
(2R)-N-carbamoyl-2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 95155506
(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide
CID 9275115
1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 63753817

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide (CID 42949633) is N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide is CC(C(=O)NC(N)=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1.
What is the InChIKey of N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
The InChIKey is BUARRNSXEKJXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13(15(23)20-17(19)25)21-9-11-22(12-10-21)16(24)18(2,3)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H3,19,20,23,25).
What are the key properties of N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide has a molecular weight of 346.43 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 42949633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).