4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide

C14H22ClN5O — CID 126804573

IUPAC4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(c2ncncc2Cl)CC1)C(C)C
InChIInChI=1S/C14H22ClN5O/c1-4-20(11(2)3)14(21)19-7-5-18(6-8-19)13-12(15)9-16-10-17-13/h9-11H,4-8H2,1-3H3
InChIKeyWTIQWTFSHAKUNN-UHFFFAOYSA-N
MW311.82 g/mol
LogP2.10
Rot. Bonds3

About 4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide

4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 126804573) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID126804573
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(c2ncncc2Cl)CC1)C(C)C
InChIInChI=1S/C14H22ClN5O/c1-4-20(11(2)3)14(21)19-7-5-18(6-8-19)13-12(15)9-16-10-17-13/h9-11H,4-8H2,1-3H3
InChIKeyWTIQWTFSHAKUNN-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone
CID 133481333
(2R)-2-(3-acetylphenoxy)-1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 99785286
4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid
CID 166794104
N-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
CID 172890939
N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide
CID 75507541
3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine
CID 105368917
1-(5-chloropyrimidin-4-yl)azepane;hydrochloride
CID 172880685
2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 105369063
2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide
CID 133490606
3-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]butan-1-one
CID 119844408
4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine
CID 130167475
3-amino-1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120872757

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide (CID 126804573) is 4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide is CCN(C(=O)N1CCN(c2ncncc2Cl)CC1)C(C)C.
What is the InChIKey of 4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is WTIQWTFSHAKUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-4-20(11(2)3)14(21)19-7-5-18(6-8-19)13-12(15)9-16-10-17-13/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide?
4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 311.82 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 126804573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).