2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C21H29N5O3 — CID 126804542

IUPAC2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCCC(c3[nH]ncc3CN3CCOCC3)C2)nc1
InChIInChI=1S/C21H29N5O3/c1-28-19-5-4-18(22-13-19)11-20(27)26-6-2-3-16(15-26)21-17(12-23-24-21)14-25-7-9-29-10-8-25/h4-5,12-13,16H,2-3,6-11,14-15H2,1H3,(H,23,24)
InChIKeyKHSMNLCNANZTPN-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.59
Rot. Bonds6

About 2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 126804542) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID126804542
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCCC(c3[nH]ncc3CN3CCOCC3)C2)nc1
InChIInChI=1S/C21H29N5O3/c1-28-19-5-4-18(22-13-19)11-20(27)26-6-2-3-16(15-26)21-17(12-23-24-21)14-25-7-9-29-10-8-25/h4-5,12-13,16H,2-3,6-11,14-15H2,1H3,(H,23,24)
InChIKeyKHSMNLCNANZTPN-UHFFFAOYSA-N
XLogP1.59
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-ethoxy-2-pyridinyl)-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 126817567
4-[[5-[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 154740983
4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 129474874
2-[(2-chlorophenyl)methoxy]-1-[(3R)-3-[4-(pyrrolidin-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 124882753
4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile
CID 154736088
4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 128974960
2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 129477557
4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 129336500
2-(4-methoxyphenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]ethanone
CID 110118665
(2S)-2-(2-fluorophenyl)-2-methoxy-1-[(3S)-3-[4-(pyrrolidin-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 124729097
[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 128664433
(2-methyl-1,3-benzoxazol-6-yl)-[3-[4-(pyrrolidin-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 154741721

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 126804542) is 2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCCC(c3[nH]ncc3CN3CCOCC3)C2)nc1.
What is the InChIKey of 2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is KHSMNLCNANZTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-28-19-5-4-18(22-13-19)11-20(27)26-6-2-3-16(15-26)21-17(12-23-24-21)14-25-7-9-29-10-8-25/h4-5,12-13,16H,2-3,6-11,14-15H2,1H3,(H,23,24).
What are the key properties of 2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 399.50 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 126804542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).