N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride

C14H24ClN5O — CID 120704514

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
SMILESCCc1cc(N2CCCC(NC(=O)CNC)C2)ncn1.Cl
InChIInChI=1S/C14H23N5O.ClH/c1-3-11-7-13(17-10-16-11)19-6-4-5-12(9-19)18-14(20)8-15-2;/h7,10,12,15H,3-6,8-9H2,1-2H3,(H,18,20);1H
InChIKeyCGKZWHSZOHTKQU-UHFFFAOYSA-N
MW313.83 g/mol
LogP0.77
Rot. Bonds5

About N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride

N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 120704514) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
PubChem CID120704514
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
SMILESCCc1cc(N2CCCC(NC(=O)CNC)C2)ncn1.Cl
InChIInChI=1S/C14H23N5O.ClH/c1-3-11-7-13(17-10-16-11)19-6-4-5-12(9-19)18-14(20)8-15-2;/h7,10,12,15H,3-6,8-9H2,1-2H3,(H,18,20);1H
InChIKeyCGKZWHSZOHTKQU-UHFFFAOYSA-N
XLogP0.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
(3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide
CID 124721716
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410
2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 129398654
N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 124626387
2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 53185796
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride
CID 119897918
3-[[[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]amino]methyl]benzoic acid
CID 122031077
2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide
CID 67066791
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide
CID 119897919
7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide
CID 119897857

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride (CID 120704514) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride is CCc1cc(N2CCCC(NC(=O)CNC)C2)ncn1.Cl.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is CGKZWHSZOHTKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O.ClH/c1-3-11-7-13(17-10-16-11)19-6-4-5-12(9-19)18-14(20)8-15-2;/h7,10,12,15H,3-6,8-9H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 120704514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).