N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide

C19H24N4O2 — CID 99614878

IUPACN-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide
SMILESCCOc1cc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)ncn1
InChIInChI=1S/C19H24N4O2/c1-2-25-18-11-17(21-14-22-18)23-10-6-7-15(13-23)12-20-19(24)16-8-4-3-5-9-16/h3-5,8-9,11,14-15H,2,6-7,10,12-13H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyRJFDTYQHGRVVIM-OAHLLOKOSA-N
MW340.43 g/mol
LogP2.52
Rot. Bonds6

About N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide

N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide (PubChem CID 99614878) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide
PubChem CID99614878
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide
SMILESCCOc1cc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)ncn1
InChIInChI=1S/C19H24N4O2/c1-2-25-18-11-17(21-14-22-18)23-10-6-7-15(13-23)12-20-19(24)16-8-4-3-5-9-16/h3-5,8-9,11,14-15H,2,6-7,10,12-13H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyRJFDTYQHGRVVIM-OAHLLOKOSA-N
XLogP2.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]methyl]benzamide
CID 97234608
2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254
2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814350
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide
CID 99855098
N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66331580
2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66331557
N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 99638683
2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66320112
2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 66319441
N-(cyclohexylmethyl)-2-ethoxypyridine-4-carboxamide
CID 59355729
1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 129473969
N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 119766222

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide (CID 99614878) is N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide is CCOc1cc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)ncn1.
What is the InChIKey of N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide?
The InChIKey is RJFDTYQHGRVVIM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-25-18-11-17(21-14-22-18)23-10-6-7-15(13-23)12-20-19(24)16-8-4-3-5-9-16/h3-5,8-9,11,14-15H,2,6-7,10,12-13H2,1H3,(H,20,24)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide?
N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 99614878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).