N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide

C24H30N6O3 — CID 11698112

IUPACN-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)N(C)c2ccc(NC(=O)c3ccc(C#N)o3)c(N3CCCCC3)c2)CC1
InChIInChI=1S/C24H30N6O3/c1-27-12-14-30(15-13-27)24(32)28(2)18-6-8-20(21(16-18)29-10-4-3-5-11-29)26-23(31)22-9-7-19(17-25)33-22/h6-9,16H,3-5,10-15H2,1-2H3,(H,26,31)
InChIKeyNRVCJJDVPMSERN-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.20
Rot. Bonds4

About N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide

N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide (PubChem CID 11698112) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide
PubChem CID11698112
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC NameN-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)N(C)c2ccc(NC(=O)c3ccc(C#N)o3)c(N3CCCCC3)c2)CC1
InChIInChI=1S/C24H30N6O3/c1-27-12-14-30(15-13-27)24(32)28(2)18-6-8-20(21(16-18)29-10-4-3-5-11-29)26-23(31)22-9-7-19(17-25)33-22/h6-9,16H,3-5,10-15H2,1-2H3,(H,26,31)
InChIKeyNRVCJJDVPMSERN-UHFFFAOYSA-N
XLogP3.20
TPSA96.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide (CID 11698112) is N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide is CN1CCN(C(=O)N(C)c2ccc(NC(=O)c3ccc(C#N)o3)c(N3CCCCC3)c2)CC1.
What is the InChIKey of N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide?
The InChIKey is NRVCJJDVPMSERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-27-12-14-30(15-13-27)24(32)28(2)18-6-8-20(21(16-18)29-10-4-3-5-11-29)26-23(31)22-9-7-19(17-25)33-22/h6-9,16H,3-5,10-15H2,1-2H3,(H,26,31).
What are the key properties of N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide?
N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 11698112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).