3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide

C22H31N5O3 — CID 51943118

IUPAC3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN([C@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)c1
InChIInChI=1S/C22H31N5O3/c1-14-20(15(2)26(4)25-14)24-21(28)16(3)27-11-9-18(10-12-27)23-22(29)17-7-6-8-19(13-17)30-5/h6-8,13,16,18H,9-12H2,1-5H3,(H,23,29)(H,24,28)/t16-/m1/s1
InChIKeyCWZQFXDHIVPVRI-MRXNPFEDSA-N
MW413.52 g/mol
LogP2.27
Rot. Bonds6

About 3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide

3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide (PubChem CID 51943118) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide
PubChem CID51943118
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN([C@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)c1
InChIInChI=1S/C22H31N5O3/c1-14-20(15(2)26(4)25-14)24-21(28)16(3)27-11-9-18(10-12-27)23-22(29)17-7-6-8-19(13-17)30-5/h6-8,13,16,18H,9-12H2,1-5H3,(H,23,29)(H,24,28)/t16-/m1/s1
InChIKeyCWZQFXDHIVPVRI-MRXNPFEDSA-N
XLogP2.27
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide
CID 52523620
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 78700917
3-methoxy-N-[1-[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidin-4-yl]benzamide
CID 51943124
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-methoxybenzoate
CID 8648379
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-cyclopropyl-3-methoxybenzamide
CID 900156
[3-(cyclopropylcarbamoyl)phenyl] 1,3,5-trimethylpyrazole-4-carboxylate
CID 75403784
N-[1-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49448704
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17395059
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide (CID 51943118) is 3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide is COc1cccc(C(=O)NC2CCN([C@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)c1.
What is the InChIKey of 3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide?
The InChIKey is CWZQFXDHIVPVRI-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-14-20(15(2)26(4)25-14)24-21(28)16(3)27-11-9-18(10-12-27)23-22(29)17-7-6-8-19(13-17)30-5/h6-8,13,16,18H,9-12H2,1-5H3,(H,23,29)(H,24,28)/t16-/m1/s1.
What are the key properties of 3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide?
3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide has a molecular weight of 413.52 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 51943118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).