5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one

C20H31N5O3 — CID 110201713

IUPAC5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESCn1cc(C(=O)N2CCC(C(=O)N3CCCCCCNC(=O)CC3)CC2)cn1
InChIInChI=1S/C20H31N5O3/c1-23-15-17(14-22-23)20(28)25-11-6-16(7-12-25)19(27)24-10-5-3-2-4-9-21-18(26)8-13-24/h14-16H,2-13H2,1H3,(H,21,26)
InChIKeyGZBPDCXHOSGBPY-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.18
Rot. Bonds2

About 5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one

5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (PubChem CID 110201713) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
PubChem CID110201713
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
SMILESCn1cc(C(=O)N2CCC(C(=O)N3CCCCCCNC(=O)CC3)CC2)cn1
InChIInChI=1S/C20H31N5O3/c1-23-15-17(14-22-23)20(28)25-11-6-16(7-12-25)19(27)24-10-5-3-2-4-9-21-18(26)8-13-24/h14-16H,2-13H2,1H3,(H,21,26)
InChIKeyGZBPDCXHOSGBPY-UHFFFAOYSA-N
XLogP1.18
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one (CID 110201713) is 5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is Cn1cc(C(=O)N2CCC(C(=O)N3CCCCCCNC(=O)CC3)CC2)cn1.
What is the InChIKey of 5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
The InChIKey is GZBPDCXHOSGBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-23-15-17(14-22-23)20(28)25-11-6-16(7-12-25)19(27)24-10-5-3-2-4-9-21-18(26)8-13-24/h14-16H,2-13H2,1H3,(H,21,26).
What are the key properties of 5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one?
5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one has a molecular weight of 389.50 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).