N-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide

C16H30N4O3 — CID 46563137

IUPACN-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C)C(=O)N1CCN(CCC(=O)NC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O3/c1-12(2)14(22)20-10-8-19(9-11-20)7-6-13(21)17-15(23)18-16(3,4)5/h12H,6-11H2,1-5H3,(H2,17,18,21,23)
InChIKeyLJTOCHNKSRBNPB-UHFFFAOYSA-N
MW326.44 g/mol
LogP0.80
Rot. Bonds4

About N-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide

N-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide (PubChem CID 46563137) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
PubChem CID46563137
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC NameN-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C)C(=O)N1CCN(CCC(=O)NC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O3/c1-12(2)14(22)20-10-8-19(9-11-20)7-6-13(21)17-15(23)18-16(3,4)5/h12H,6-11H2,1-5H3,(H2,17,18,21,23)
InChIKeyLJTOCHNKSRBNPB-UHFFFAOYSA-N
XLogP0.80
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-Dimethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 137649325
1-Isobutyl-5-methyldihydro-2,4(1H,3H)-pyrimidinedione
CID 362313
5,5-Dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 56815218
5-Amino-5-[(dimethylamino)methyl]pyrimidine-2,4,6(1h,3h,5h)-trione
CID 226111
1-(2-Methylpropyl)dihydropyrimidine-2,4(1h,3h)-dione
CID 241567
N-(2,2,2-trifluoroethylcarbamoyl)-3-(2,2,4-trimethyl-3-oxopiperazin-1-yl)propanamide
CID 99627112
N-tert-butyl-3-(5-fluoro-2,4,6-trioxo-1,3-diazinan-1-yl)propanamide
CID 104431156
5-[(4-methylpiperazin-1-yl)methyl]pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1532173
N-(tert-butyl)-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide formate
CID 138809805
1-Ethyl-5-methyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione
CID 10868023
1,5-Dimethyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione
CID 10910872
1-Ethyl-5-methyl-5-(propylamino)-1,3-diazinane-2,4,6-trione
CID 11053374

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide (CID 46563137) is N-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide is CC(C)C(=O)N1CCN(CCC(=O)NC(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The InChIKey is LJTOCHNKSRBNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-12(2)14(22)20-10-8-19(9-11-20)7-6-13(21)17-15(23)18-16(3,4)5/h12H,6-11H2,1-5H3,(H2,17,18,21,23).
What are the key properties of N-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
N-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 46563137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).