N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide

C19H27N3O4 — CID 55949190

IUPACN-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide
SMILESCC1CCN(C(=O)C2CCN(C(=O)CNC(=O)c3ccoc3)CC2)CC1
InChIInChI=1S/C19H27N3O4/c1-14-2-7-22(8-3-14)19(25)15-4-9-21(10-5-15)17(23)12-20-18(24)16-6-11-26-13-16/h6,11,13-15H,2-5,7-10,12H2,1H3,(H,20,24)
InChIKeyPTHUBSBXNFKIBB-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.51
Rot. Bonds4

About N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide

N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide (PubChem CID 55949190) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide
PubChem CID55949190
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide
SMILESCC1CCN(C(=O)C2CCN(C(=O)CNC(=O)c3ccoc3)CC2)CC1
InChIInChI=1S/C19H27N3O4/c1-14-2-7-22(8-3-14)19(25)15-4-9-21(10-5-15)17(23)12-20-18(24)16-6-11-26-13-16/h6,11,13-15H,2-5,7-10,12H2,1H3,(H,20,24)
InChIKeyPTHUBSBXNFKIBB-UHFFFAOYSA-N
XLogP1.51
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(furan-3-carbonylamino)acetyl]piperidine-4-carboxylate
CID 46430018
N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide
CID 55816213
4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide
CID 36802749
N-[2-oxo-2-[(4R)-4-phenylazepan-1-yl]ethyl]furan-3-carboxamide
CID 95180599
4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 55837955
3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 38491208
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 39997651
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 110801022
4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112990991
N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 38491111
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
CID 47073768
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 46429322

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide (CID 55949190) is N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide is CC1CCN(C(=O)C2CCN(C(=O)CNC(=O)c3ccoc3)CC2)CC1.
What is the InChIKey of N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is PTHUBSBXNFKIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-14-2-7-22(8-3-14)19(25)15-4-9-21(10-5-15)17(23)12-20-18(24)16-6-11-26-13-16/h6,11,13-15H,2-5,7-10,12H2,1H3,(H,20,24).
What are the key properties of N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide?
N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 55949190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).