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

C20H31N5O2 — CID 56866262

IUPAC[1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(C(=O)N2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)cn1
InChIInChI=1S/C20H31N5O2/c1-22-14-17(13-21-22)20(27)24-11-6-18(7-12-24)25-10-4-5-16(15-25)19(26)23-8-2-3-9-23/h13-14,16,18H,2-12,15H2,1H3
InChIKeyOFBDNUAZCWZDOW-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.36
Rot. Bonds3

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

[1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56866262) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is [1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID56866262
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name[1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(C(=O)N2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)cn1
InChIInChI=1S/C20H31N5O2/c1-22-14-17(13-21-22)20(27)24-11-6-18(7-12-24)25-10-4-5-16(15-25)19(26)23-8-2-3-9-23/h13-14,16,18H,2-12,15H2,1H3
InChIKeyOFBDNUAZCWZDOW-UHFFFAOYSA-N
XLogP1.36
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
[(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95212920
[(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95551148
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 128954239
[(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
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 51220232
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

Frequently Asked Questions

What is the IUPAC name of [1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 56866262) is [1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cn1cc(C(=O)N2CCC(N3CCCC(C(=O)N4CCCC4)C3)CC2)cn1.
What is the InChIKey of [1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OFBDNUAZCWZDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-22-14-17(13-21-22)20(27)24-11-6-18(7-12-24)25-10-4-5-16(15-25)19(26)23-8-2-3-9-23/h13-14,16,18H,2-12,15H2,1H3.
What are the key properties of [1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 373.50 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56866262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).