4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide

C23H31N5O2 — CID 110055034

IUPAC4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(N/C(=N\CCc2ccco2)NC2CCc3ccccc3C2)CC1
InChIInChI=1S/C23H31N5O2/c24-22(29)28-13-10-19(11-14-28)26-23(25-12-9-21-6-3-15-30-21)27-20-8-7-17-4-1-2-5-18(17)16-20/h1-6,15,19-20H,7-14,16H2,(H2,24,29)(H2,25,26,27)
InChIKeyHWRJDGRXYSPRMA-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.46
Rot. Bonds5

About 4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide

4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide (PubChem CID 110055034) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide
PubChem CID110055034
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(N/C(=N\CCc2ccco2)NC2CCc3ccccc3C2)CC1
InChIInChI=1S/C23H31N5O2/c24-22(29)28-13-10-19(11-14-28)26-23(25-12-9-21-6-3-15-30-21)27-20-8-7-17-4-1-2-5-18(17)16-20/h1-6,15,19-20H,7-14,16H2,(H2,24,29)(H2,25,26,27)
InChIKeyHWRJDGRXYSPRMA-UHFFFAOYSA-N
XLogP2.46
TPSA95.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 111907082
2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
CID 110055516
4-[[N'-butyl-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxamide;hydroiodide
CID 110054981
2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 111357385
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
4-[[N-[2-(furan-2-yl)ethyl]-N'-[3-(N-methylanilino)propyl]carbamimidoyl]amino]piperidine-1-carboxamide
CID 110055026
1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide
CID 110059883
1-(furan-2-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 119132815
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054124
2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
CID 110058320
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110054123
ethyl 4-[[N'-[2-(furan-2-yl)ethyl]-N-(thian-3-yl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 110056772

Frequently Asked Questions

What is the IUPAC name of 4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide?
The IUPAC name of 4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide (CID 110055034) is 4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide is NC(=O)N1CCC(N/C(=N\CCc2ccco2)NC2CCc3ccccc3C2)CC1.
What is the InChIKey of 4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide?
The InChIKey is HWRJDGRXYSPRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c24-22(29)28-13-10-19(11-14-28)26-23(25-12-9-21-6-3-15-30-21)27-20-8-7-17-4-1-2-5-18(17)16-20/h1-6,15,19-20H,7-14,16H2,(H2,24,29)(H2,25,26,27).
What are the key properties of 4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide?
4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 110055034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).