5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide

C20H33N5O2 — CID 111908421

IUPAC5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide
SMILESC/N=C(\NCc1ccc(C(N)=O)o1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H33N5O2/c1-22-19(23-14-16-8-9-17(27-16)18(21)26)24-15-20(10-4-2-5-11-20)25-12-6-3-7-13-25/h8-9H,2-7,10-15H2,1H3,(H2,21,26)(H2,22,23,24)
InChIKeyUDAUHOOIHOMLGL-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.23
Rot. Bonds6

About 5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide

5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide (PubChem CID 111908421) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide
PubChem CID111908421
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide
SMILESC/N=C(\NCc1ccc(C(N)=O)o1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H33N5O2/c1-22-19(23-14-16-8-9-17(27-16)18(21)26)24-15-20(10-4-2-5-11-20)25-12-6-3-7-13-25/h8-9H,2-7,10-15H2,1H3,(H2,21,26)(H2,22,23,24)
InChIKeyUDAUHOOIHOMLGL-UHFFFAOYSA-N
XLogP2.23
TPSA95.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[[[N'-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)carbamimidoyl]amino]methyl]furan-2-carboxamide
CID 111908477
5-[[[N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908138
5-[[[N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]furan-2-carboxamide
CID 111908605
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine
CID 111497487
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 111834817
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 111836607
5-[[[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908196
5-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]furan-2-carboxamide
CID 111908145
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 111835665
2-methyl-1-[(1-methylpyrrol-3-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111966741
N-[4-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 111003456
2-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111292642

Frequently Asked Questions

What is the IUPAC name of 5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide?
The IUPAC name of 5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide (CID 111908421) is 5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide is C/N=C(\NCc1ccc(C(N)=O)o1)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide?
The InChIKey is UDAUHOOIHOMLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-22-19(23-14-16-8-9-17(27-16)18(21)26)24-15-20(10-4-2-5-11-20)25-12-6-3-7-13-25/h8-9H,2-7,10-15H2,1H3,(H2,21,26)(H2,22,23,24).
What are the key properties of 5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide?
5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 111908421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).