[(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C20H30ClN5O2 — CID 95551148

IUPAC[(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1ncc(Cl)c1C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C20H30ClN5O2/c1-23-18(17(21)13-22-23)20(28)25-11-6-16(7-12-25)26-10-4-5-15(14-26)19(27)24-8-2-3-9-24/h13,15-16H,2-12,14H2,1H3/t15-/m0/s1
InChIKeyKYQHMQSDEGPMBI-HNNXBMFYSA-N
MW407.95 g/mol
LogP2.01
Rot. Bonds3

About [(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95551148) has the molecular formula C20H30ClN5O2 and a molecular weight of 407.95 g/mol. Its IUPAC name is [(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID95551148
Molecular FormulaC20H30ClN5O2
Molecular Weight407.95 g/mol
Exact Mass407.21
IUPAC Name[(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1ncc(Cl)c1C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C20H30ClN5O2/c1-23-18(17(21)13-22-23)20(28)25-11-6-16(7-12-25)26-10-4-5-15(14-26)19(27)24-8-2-3-9-24/h13,15-16H,2-12,14H2,1H3/t15-/m0/s1
InChIKeyKYQHMQSDEGPMBI-HNNXBMFYSA-N
XLogP2.01
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56864360
[1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56866262
[(3R)-1-[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95558047
[(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95212920
pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95551648
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56879136
5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95563751
[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 96580317
[(3R)-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 95554331
morpholin-4-yl-[(3R)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95560901
[(3S)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95554392
[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 22263076

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 95551148) is [(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cn1ncc(Cl)c1C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of [(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KYQHMQSDEGPMBI-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H30ClN5O2/c1-23-18(17(21)13-22-23)20(28)25-11-6-16(7-12-25)26-10-4-5-15(14-26)19(27)24-8-2-3-9-24/h13,15-16H,2-12,14H2,1H3/t15-/m0/s1.
What are the key properties of [(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 407.95 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95551148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).