N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C23H30N4O4 — CID 78887090

IUPACN-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(CNC(=O)N2CCC(CN3CCOCC3)CC2)cc1)c1ccco1
InChIInChI=1S/C23H30N4O4/c28-22(21-2-1-13-31-21)25-20-5-3-18(4-6-20)16-24-23(29)27-9-7-19(8-10-27)17-26-11-14-30-15-12-26/h1-6,13,19H,7-12,14-17H2,(H,24,29)(H,25,28)
InChIKeyXMXAYPFAWWSJQE-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.79
Rot. Bonds6

About N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide

N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 78887090) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID78887090
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(CNC(=O)N2CCC(CN3CCOCC3)CC2)cc1)c1ccco1
InChIInChI=1S/C23H30N4O4/c28-22(21-2-1-13-31-21)25-20-5-3-18(4-6-20)16-24-23(29)27-9-7-19(8-10-27)17-26-11-14-30-15-12-26/h1-6,13,19H,7-12,14-17H2,(H,24,29)(H,25,28)
InChIKeyXMXAYPFAWWSJQE-UHFFFAOYSA-N
XLogP2.79
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 20907522
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393
N-[4-[(morpholin-4-ylsulfonylamino)methyl]phenyl]furan-2-carboxamide
CID 55515575
N-[4-[[[C-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111735100
ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate
CID 20907510
4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 55769235
N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide
CID 42017935
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 86898946
methyl 1-[N-[[4-(furan-2-carbonylamino)phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252266
N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 43038549
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
CID 35668689
ethyl 4-[[N-[[4-(furan-2-carbonylamino)phenyl]methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327502

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 78887090) is N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is O=C(Nc1ccc(CNC(=O)N2CCC(CN3CCOCC3)CC2)cc1)c1ccco1.
What is the InChIKey of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is XMXAYPFAWWSJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c28-22(21-2-1-13-31-21)25-20-5-3-18(4-6-20)16-24-23(29)27-9-7-19(8-10-27)17-26-11-14-30-15-12-26/h1-6,13,19H,7-12,14-17H2,(H,24,29)(H,25,28).
What are the key properties of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 78887090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).