morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone

C23H27N5O2 — CID 110082993

IUPACmorpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCN(Cc2ccnc3ccccc23)C1)N1CCOCC1
InChIInChI=1S/C23H27N5O2/c29-23(28-10-12-30-13-11-28)20-14-25-26-22(20)18-4-3-9-27(16-18)15-17-7-8-24-21-6-2-1-5-19(17)21/h1-2,5-8,14,18H,3-4,9-13,15-16H2,(H,25,26)
InChIKeyPNEWNRPQTDHETD-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.81
Rot. Bonds4

About morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone

morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone (PubChem CID 110082993) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone
PubChem CID110082993
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Namemorpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCN(Cc2ccnc3ccccc23)C1)N1CCOCC1
InChIInChI=1S/C23H27N5O2/c29-23(28-10-12-30-13-11-28)20-14-25-26-22(20)18-4-3-9-27(16-18)15-17-7-8-24-21-6-2-1-5-19(17)21/h1-2,5-8,14,18H,3-4,9-13,15-16H2,(H,25,26)
InChIKeyPNEWNRPQTDHETD-UHFFFAOYSA-N
XLogP2.81
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 128969070
[5-[1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 128993503
[5-[(3S)-1-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 129324268
azepan-1-yl-[5-[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 110083021
[2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
CID 110149354
4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
morpholin-4-yl-[5-[(3R)-piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 98041423
5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 128968595
[2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 92638888
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
azepan-1-yl-[5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 110083019
2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 129477557

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone (CID 110082993) is morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone is O=C(c1cn[nH]c1C1CCCN(Cc2ccnc3ccccc23)C1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone?
The InChIKey is PNEWNRPQTDHETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-23(28-10-12-30-13-11-28)20-14-25-26-22(20)18-4-3-9-27(16-18)15-17-7-8-24-21-6-2-1-5-19(17)21/h1-2,5-8,14,18H,3-4,9-13,15-16H2,(H,25,26).
What are the key properties of morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone?
morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 110082993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).