2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide

C21H29N5O3 — CID 120930818

IUPAC2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)C3(n4cccn4)CCNCC3)CC2)c(C)o1
InChIInChI=1S/C21H29N5O3/c1-15-14-18(16(2)29-15)19(27)24-17-4-12-25(13-5-17)20(28)21(6-9-22-10-7-21)26-11-3-8-23-26/h3,8,11,14,17,22H,4-7,9-10,12-13H2,1-2H3,(H,24,27)
InChIKeySYSQMRMSTZJKGB-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.59
Rot. Bonds4

About 2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide

2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide (PubChem CID 120930818) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide
PubChem CID120930818
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)C3(n4cccn4)CCNCC3)CC2)c(C)o1
InChIInChI=1S/C21H29N5O3/c1-15-14-18(16(2)29-15)19(27)24-17-4-12-25(13-5-17)20(28)21(6-9-22-10-7-21)26-11-3-8-23-26/h3,8,11,14,17,22H,4-7,9-10,12-13H2,1-2H3,(H,24,27)
InChIKeySYSQMRMSTZJKGB-UHFFFAOYSA-N
XLogP1.59
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide (CID 120930818) is 2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide is Cc1cc(C(=O)NC2CCN(C(=O)C3(n4cccn4)CCNCC3)CC2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide?
The InChIKey is SYSQMRMSTZJKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-15-14-18(16(2)29-15)19(27)24-17-4-12-25(13-5-17)20(28)21(6-9-22-10-7-21)26-11-3-8-23-26/h3,8,11,14,17,22H,4-7,9-10,12-13H2,1-2H3,(H,24,27).
What are the key properties of 2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide?
2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 120930818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).