N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C14H23N5O — CID 651793

IUPACN,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCN(CC)C(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H23N5O/c1-3-18(4-2)13(20)12-17-8-10-19(11-9-17)14-15-6-5-7-16-14/h5-7H,3-4,8-12H2,1-2H3
InChIKeyWSXHFOXHJLRMHI-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.47
Rot. Bonds5

About N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 651793) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID651793
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCN(CC)C(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H23N5O/c1-3-18(4-2)13(20)12-17-8-10-19(11-9-17)14-15-6-5-7-16-14/h5-7H,3-4,8-12H2,1-2H3
InChIKeyWSXHFOXHJLRMHI-UHFFFAOYSA-N
XLogP0.47
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 651793) is N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CCN(CC)C(=O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is WSXHFOXHJLRMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-18(4-2)13(20)12-17-8-10-19(11-9-17)14-15-6-5-7-16-14/h5-7H,3-4,8-12H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 651793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).