N-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide

C18H30N6O2 — CID 34191167

IUPACN-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide
SMILESCN(CCC(=O)N1CCN(c2ncccn2)CC1)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H30N6O2/c1-18(2,3)21-15(25)14-22(4)9-6-16(26)23-10-12-24(13-11-23)17-19-7-5-8-20-17/h5,7-8H,6,9-14H2,1-4H3,(H,21,25)
InChIKeyQEIXDSYZPUMOQQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.36
Rot. Bonds6

About N-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide

N-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide (PubChem CID 34191167) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide
PubChem CID34191167
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC NameN-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide
SMILESCN(CCC(=O)N1CCN(c2ncccn2)CC1)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H30N6O2/c1-18(2,3)21-15(25)14-22(4)9-6-16(26)23-10-12-24(13-11-23)17-19-7-5-8-20-17/h5,7-8H,6,9-14H2,1-4H3,(H,21,25)
InChIKeyQEIXDSYZPUMOQQ-UHFFFAOYSA-N
XLogP0.36
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]-N-propan-2-ylacetamide
CID 8914218
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113117515
3-[(2-fluorophenyl)methyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 55568353
N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108943839
methyl 4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 110756099
N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]acetamide
CID 8816059
3-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110854951
3-[methyl-(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61186045
tert-butyl N-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 51217256
N-(2-chlorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113127071
N-(4-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123989
N-(2,6-difluorophenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113135384

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide (CID 34191167) is N-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide is CN(CCC(=O)N1CCN(c2ncccn2)CC1)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide?
The InChIKey is QEIXDSYZPUMOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-18(2,3)21-15(25)14-22(4)9-6-16(26)23-10-12-24(13-11-23)17-19-7-5-8-20-17/h5,7-8H,6,9-14H2,1-4H3,(H,21,25).
What are the key properties of N-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide?
N-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide has a molecular weight of 362.48 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide is sourced from PubChem (CID 34191167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).