[5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone

C20H28N6O2 — CID 110268922

IUPAC[5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCNc1ncccc1CN1CCCC(c2cc(C(=O)N3CCOCC3)n[nH]2)C1
InChIInChI=1S/C20H28N6O2/c1-21-19-16(4-2-6-22-19)14-25-7-3-5-15(13-25)17-12-18(24-23-17)20(27)26-8-10-28-11-9-26/h2,4,6,12,15H,3,5,7-11,13-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyRDCXKDSTRQDHGX-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.70
Rot. Bonds5

About [5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone

[5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 110268922) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is [5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID110268922
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name[5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCNc1ncccc1CN1CCCC(c2cc(C(=O)N3CCOCC3)n[nH]2)C1
InChIInChI=1S/C20H28N6O2/c1-21-19-16(4-2-6-22-19)14-25-7-3-5-15(13-25)17-12-18(24-23-17)20(27)26-8-10-28-11-9-26/h2,4,6,12,15H,3,5,7-11,13-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyRDCXKDSTRQDHGX-UHFFFAOYSA-N
XLogP1.70
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110253971
1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110268882
[5-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 95840400
2-(azepan-1-yl)-1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110268942
1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 95840549
N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 125003912
(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95840496
N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
CID 62973167
N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 95846016
2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 95840526
morpholin-4-yl-(5-piperidin-4-yl-1H-pyrazol-3-yl)methanone
CID 119106388
4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 136766199

Frequently Asked Questions

What is the IUPAC name of [5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone (CID 110268922) is [5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone is CNc1ncccc1CN1CCCC(c2cc(C(=O)N3CCOCC3)n[nH]2)C1.
What is the InChIKey of [5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is RDCXKDSTRQDHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-21-19-16(4-2-6-22-19)14-25-7-3-5-15(13-25)17-12-18(24-23-17)20(27)26-8-10-28-11-9-26/h2,4,6,12,15H,3,5,7-11,13-14H2,1H3,(H,21,22)(H,23,24).
What are the key properties of [5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone?
[5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 384.48 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110268922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).