N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide

C22H32N4O4 — CID 125166643

IUPACN-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1=O
InChIInChI=1S/C22H32N4O4/c1-24-8-2-3-19(22(24)29)21(28)23-11-18-14-26(20(27)15-30-18)13-17-6-9-25(10-7-17)12-16-4-5-16/h2-3,8,16-18H,4-7,9-15H2,1H3,(H,23,28)/t18-/m0/s1
InChIKeyOHOQIGWUGRKZTF-SFHVURJKSA-N
MW416.52 g/mol
LogP0.46
Rot. Bonds7

About N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 125166643) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID125166643
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC NameN-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1=O
InChIInChI=1S/C22H32N4O4/c1-24-8-2-3-19(22(24)29)21(28)23-11-18-14-26(20(27)15-30-18)13-17-6-9-25(10-7-17)12-16-4-5-16/h2-3,8,16-18H,4-7,9-15H2,1H3,(H,23,28)/t18-/m0/s1
InChIKeyOHOQIGWUGRKZTF-SFHVURJKSA-N
XLogP0.46
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 125161789
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 118763419
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide
CID 146039284
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 125165420
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 125180018
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(2-hydroxyphenyl)acetamide
CID 154568227
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 125159273
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 125165829
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 125170428
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 125163956
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 125170829
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 125162074

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 125166643) is N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c1=O.
What is the InChIKey of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is OHOQIGWUGRKZTF-SFHVURJKSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-24-8-2-3-19(22(24)29)21(28)23-11-18-14-26(20(27)15-30-18)13-17-6-9-25(10-7-17)12-16-4-5-16/h2-3,8,16-18H,4-7,9-15H2,1H3,(H,23,28)/t18-/m0/s1.
What are the key properties of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 125166643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).