4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride

C15H27Cl2N5O — CID 119897918

IUPAC4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride
SMILESCCc1cc(N2CCC(NC(=O)CCCN)CC2)ncn1.Cl.Cl
InChIInChI=1S/C15H25N5O.2ClH/c1-2-12-10-14(18-11-17-12)20-8-5-13(6-9-20)19-15(21)4-3-7-16;;/h10-11,13H,2-9,16H2,1H3,(H,19,21);2*1H
InChIKeyROTKECQPFBKJHV-UHFFFAOYSA-N
MW364.32 g/mol
LogP1.71
Rot. Bonds6

About 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride

4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride (PubChem CID 119897918) has the molecular formula C15H27Cl2N5O and a molecular weight of 364.32 g/mol. Its IUPAC name is 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride
PubChem CID119897918
Molecular FormulaC15H27Cl2N5O
Molecular Weight364.32 g/mol
Exact Mass363.16
IUPAC Name4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride
SMILESCCc1cc(N2CCC(NC(=O)CCCN)CC2)ncn1.Cl.Cl
InChIInChI=1S/C15H25N5O.2ClH/c1-2-12-10-14(18-11-17-12)20-8-5-13(6-9-20)19-15(21)4-3-7-16;;/h10-11,13H,2-9,16H2,1H3,(H,19,21);2*1H
InChIKeyROTKECQPFBKJHV-UHFFFAOYSA-N
XLogP1.71
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]benzamide;dihydrochloride
CID 119947419
(2R)-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119897858
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
CID 120704514
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide
CID 154785490
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide
CID 136545875
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide
CID 154803218
(2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide
CID 96525935
6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide
CID 133358123
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 136512439
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 62593889

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride (CID 119897918) is 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride is CCc1cc(N2CCC(NC(=O)CCCN)CC2)ncn1.Cl.Cl.
What is the InChIKey of 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride?
The InChIKey is ROTKECQPFBKJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O.2ClH/c1-2-12-10-14(18-11-17-12)20-8-5-13(6-9-20)19-15(21)4-3-7-16;;/h10-11,13H,2-9,16H2,1H3,(H,19,21);2*1H.
What are the key properties of 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride?
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride is sourced from PubChem (CID 119897918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).