N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide

C17H28N6O2 — CID 113117515

IUPACN-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ncccn2)CC1)CCN(C)C
InChIInChI=1S/C17H28N6O2/c1-15(24)21(10-9-20(2)3)8-5-16(25)22-11-13-23(14-12-22)17-18-6-4-7-19-17/h4,6-7H,5,8-14H2,1-3H3
InChIKeyYEUABMJPJGVLCM-UHFFFAOYSA-N
MW348.45 g/mol
LogP-0.07
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide

N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide (PubChem CID 113117515) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
PubChem CID113117515
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ncccn2)CC1)CCN(C)C
InChIInChI=1S/C17H28N6O2/c1-15(24)21(10-9-20(2)3)8-5-16(25)22-11-13-23(14-12-22)17-18-6-4-7-19-17/h4,6-7H,5,8-14H2,1-3H3
InChIKeyYEUABMJPJGVLCM-UHFFFAOYSA-N
XLogP-0.07
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113117514
N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113117464
N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113135384
N-(4-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123989
N-(2-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123599
N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108943839
N-(2-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113127071
N-[2-(dimethylamino)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113117459
3-[(2-fluorophenyl)methyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 55568353
N-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide
CID 34191167
N-(3-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113127238
N-(4-cyanophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113135076

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide (CID 113117515) is N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide is CC(=O)N(CCC(=O)N1CCN(c2ncccn2)CC1)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The InChIKey is YEUABMJPJGVLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-15(24)21(10-9-20(2)3)8-5-16(25)22-11-13-23(14-12-22)17-18-6-4-7-19-17/h4,6-7H,5,8-14H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of -0.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 113117515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).