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

C20H30ClN5O2 — CID 56864360

IUPAC[1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(Cl)c(C(=O)N2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)n1
InChIInChI=1S/C20H30ClN5O2/c1-23-14-17(21)18(22-23)20(28)25-11-6-16(7-12-25)26-10-4-5-15(13-26)19(27)24-8-2-3-9-24/h14-16H,2-13H2,1H3
InChIKeyALGQQKZJDSIIEY-UHFFFAOYSA-N
MW407.95 g/mol
LogP2.01
Rot. Bonds3

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

[1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56864360) has the molecular formula C20H30ClN5O2 and a molecular weight of 407.95 g/mol. Its IUPAC name is [1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID56864360
Molecular FormulaC20H30ClN5O2
Molecular Weight407.95 g/mol
Exact Mass407.21
IUPAC Name[1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(Cl)c(C(=O)N2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)n1
InChIInChI=1S/C20H30ClN5O2/c1-23-14-17(21)18(22-23)20(28)25-11-6-16(7-12-25)26-10-4-5-15(13-26)19(27)24-8-2-3-9-24/h14-16H,2-13H2,1H3
InChIKeyALGQQKZJDSIIEY-UHFFFAOYSA-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

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Related Compounds

[1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56866262
[(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95551148
[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 96580317
[(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95212920
4-[(3S)-1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97205451
[(3R)-1-[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95558047
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
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 56880438
3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide
CID 70749697
[1-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56870773

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 56864360) is [1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cn1cc(Cl)c(C(=O)N2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)n1.
What is the InChIKey of [1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ALGQQKZJDSIIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN5O2/c1-23-14-17(21)18(22-23)20(28)25-11-6-16(7-12-25)26-10-4-5-15(13-26)19(27)24-8-2-3-9-24/h14-16H,2-13H2,1H3.
What are the key properties of [1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[1-(4-chloro-1-methylpyrazole-3-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 [1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56864360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).