(1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone

C20H22N4O — CID 124972215

IUPAC(1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCC[C@H](Cc3cccc4cccnc34)C2)n1
InChIInChI=1S/C20H22N4O/c1-23-12-9-18(22-23)20(25)24-11-4-5-15(14-24)13-17-7-2-6-16-8-3-10-21-19(16)17/h2-3,6-10,12,15H,4-5,11,13-14H2,1H3/t15-/m1/s1
InChIKeyKBLIPUWEIOLNPN-OAHLLOKOSA-N
MW334.42 g/mol
LogP3.06
Rot. Bonds3

About (1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone

(1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124972215) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
PubChem CID124972215
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCC[C@H](Cc3cccc4cccnc34)C2)n1
InChIInChI=1S/C20H22N4O/c1-23-12-9-18(22-23)20(25)24-11-4-5-15(14-24)13-17-7-2-6-16-8-3-10-21-19(16)17/h2-3,6-10,12,15H,4-5,11,13-14H2,1H3/t15-/m1/s1
InChIKeyKBLIPUWEIOLNPN-OAHLLOKOSA-N
XLogP3.06
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

1-methyl-N-[2-[(3S)-3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenyl]pyrazole-3-carboxamide
CID 129460009
pyridazin-4-yl-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 124963944
(2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 125000469
(1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124943393
[3-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122381
[3-(bromomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122473
pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828404
pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 175652239
(5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652174
(5-methyl-1,3-oxazol-4-yl)-[(4R)-4-(quinolin-8-ylmethyl)azepan-1-yl]methanone
CID 124997008
(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245559
[4-methyl-3-(pyridin-2-ylmethylamino)phenyl]-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 129458362

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone (CID 124972215) is (1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone is Cn1ccc(C(=O)N2CCC[C@H](Cc3cccc4cccnc34)C2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is KBLIPUWEIOLNPN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23-12-9-18(22-23)20(25)24-11-4-5-15(14-24)13-17-7-2-6-16-8-3-10-21-19(16)17/h2-3,6-10,12,15H,4-5,11,13-14H2,1H3/t15-/m1/s1.
What are the key properties of (1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
(1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124972215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).