2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one

C21H29N5O3 — CID 155499512

IUPAC2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)[nH]1
InChIInChI=1S/C21H29N5O3/c1-15-10-17(27)11-18(23-15)21(28)26-8-9-29-19(14-25-6-4-3-5-7-25)20(26)16-12-22-24(2)13-16/h10-13,19-20H,3-9,14H2,1-2H3,(H,23,27)/t19-,20-/m0/s1
InChIKeyGXTNMFVUOHZACB-PMACEKPBSA-N
MW399.50 g/mol
LogP1.49
Rot. Bonds4

About 2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one

2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one (PubChem CID 155499512) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
PubChem CID155499512
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)[nH]1
InChIInChI=1S/C21H29N5O3/c1-15-10-17(27)11-18(23-15)21(28)26-8-9-29-19(14-25-6-4-3-5-7-25)20(26)16-12-22-24(2)13-16/h10-13,19-20H,3-9,14H2,1-2H3,(H,23,27)/t19-,20-/m0/s1
InChIKeyGXTNMFVUOHZACB-PMACEKPBSA-N
XLogP1.49
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 155503586
(3-fluoro-2-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505512
(2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155499744
(2-ethylpyrazol-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155503181
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155494128
(1-methylpiperidin-4-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155506386
[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone
CID 155507859
3-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]benzonitrile
CID 155502193
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155495820
(3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505259
4-amino-1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 155507556
1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 155502215

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one (CID 155499512) is 2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one is Cc1cc(=O)cc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)[nH]1.
What is the InChIKey of 2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The InChIKey is GXTNMFVUOHZACB-PMACEKPBSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-15-10-17(27)11-18(23-15)21(28)26-8-9-29-19(14-25-6-4-3-5-7-25)20(26)16-12-22-24(2)13-16/h10-13,19-20H,3-9,14H2,1-2H3,(H,23,27)/t19-,20-/m0/s1.
What are the key properties of 2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one has a molecular weight of 399.50 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 155499512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).