[(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone

C21H29N5O2 — CID 95202414

IUPAC[(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCc1nn(C)c(N2CCOCC2)c1CN1CCC[C@H](C(=O)c2ccccn2)C1
InChIInChI=1S/C21H29N5O2/c1-16-18(21(24(2)23-16)26-10-12-28-13-11-26)15-25-9-5-6-17(14-25)20(27)19-7-3-4-8-22-19/h3-4,7-8,17H,5-6,9-15H2,1-2H3/t17-/m0/s1
InChIKeySIAVAWCTTNMXPP-KRWDZBQOSA-N
MW383.50 g/mol
LogP2.06
Rot. Bonds5

About [(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone

[(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone (PubChem CID 95202414) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is [(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
PubChem CID95202414
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name[(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCc1nn(C)c(N2CCOCC2)c1CN1CCC[C@H](C(=O)c2ccccn2)C1
InChIInChI=1S/C21H29N5O2/c1-16-18(21(24(2)23-16)26-10-12-28-13-11-26)15-25-9-5-6-17(14-25)20(27)19-7-3-4-8-22-19/h3-4,7-8,17H,5-6,9-15H2,1-2H3/t17-/m0/s1
InChIKeySIAVAWCTTNMXPP-KRWDZBQOSA-N
XLogP2.06
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99959880
[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124852139
[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 26408898
[(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124753012
[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99926517
[(3S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99929635
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]acetamide
CID 91832837
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(pyridine-2-carbonyl)piperidin-1-yl]acetamide
CID 124752283
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 131945300
[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 91829986
[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 77091978
[(3S)-1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124757098

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone (CID 95202414) is [(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone is Cc1nn(C)c(N2CCOCC2)c1CN1CCC[C@H](C(=O)c2ccccn2)C1.
What is the InChIKey of [(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is SIAVAWCTTNMXPP-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-16-18(21(24(2)23-16)26-10-12-28-13-11-26)15-25-9-5-6-17(14-25)20(27)19-7-3-4-8-22-19/h3-4,7-8,17H,5-6,9-15H2,1-2H3/t17-/m0/s1.
What are the key properties of [(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
[(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 383.50 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 95202414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).