N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide

C15H25N5O — CID 77084591

IUPACN-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(Cc2ccnc(CC)n2)CC1
InChIInChI=1S/C15H25N5O/c1-3-14-17-6-5-13(18-14)11-19-7-9-20(10-8-19)12-15(21)16-4-2/h5-6H,3-4,7-12H2,1-2H3,(H,16,21)
InChIKeyAGIQOIWDAZMXST-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.29
Rot. Bonds6

About N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide

N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 77084591) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID77084591
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(Cc2ccnc(CC)n2)CC1
InChIInChI=1S/C15H25N5O/c1-3-14-17-6-5-13(18-14)11-19-7-9-20(10-8-19)12-15(21)16-4-2/h5-6H,3-4,7-12H2,1-2H3,(H,16,21)
InChIKeyAGIQOIWDAZMXST-UHFFFAOYSA-N
XLogP0.29
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine
CID 91779694
N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide
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N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide
CID 71109501
2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 56875539
2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide
CID 56869498
2-[4-(2-tert-butylpyrimidin-4-yl)-1,4-diazepan-1-yl]-N-ethylacetamide
CID 133351609
N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 71980313
N-ethyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722178
2-[4-[(7-tert-butyl-5-oxothiochromeno[2,3-b]pyridin-2-yl)methyl]-7,10-bis[2-(ethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-ethylacetamide
CID 166125365

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide (CID 77084591) is N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(Cc2ccnc(CC)n2)CC1.
What is the InChIKey of N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is AGIQOIWDAZMXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-14-17-6-5-13(18-14)11-19-7-9-20(10-8-19)12-15(21)16-4-2/h5-6H,3-4,7-12H2,1-2H3,(H,16,21).
What are the key properties of N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 291.40 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 77084591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).