1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine

C22H32N4O2 — CID 119156015

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC1CCOc2ccccc21)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H32N4O2/c1-2-23-22(24-15-17-11-14-28-20-6-4-3-5-19(17)20)25-18-9-12-26(13-10-18)21(27)16-7-8-16/h3-6,16-18H,2,7-15H2,1H3,(H2,23,24,25)
InChIKeyGUSTZWMMZOXUSS-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.51
Rot. Bonds5

About 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine (PubChem CID 119156015) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine
PubChem CID119156015
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC1CCOc2ccccc21)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H32N4O2/c1-2-23-22(24-15-17-11-14-28-20-6-4-3-5-19(17)20)25-18-9-12-26(13-10-18)21(27)16-7-8-16/h3-6,16-18H,2,7-15H2,1H3,(H2,23,24,25)
InChIKeyGUSTZWMMZOXUSS-UHFFFAOYSA-N
XLogP2.51
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.51
H-Bond Donors ≤ 52
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

1-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide
CID 119155996
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 119156176
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111836729
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111840180
N-[2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 111316008
1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide
CID 110741365
ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate
CID 110648883
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 109418056
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111018803
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 111544367
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-ethyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909809
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide
CID 110059929

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine (CID 119156015) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine is CCN/C(=N\CC1CCOc2ccccc21)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine?
The InChIKey is GUSTZWMMZOXUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-2-23-22(24-15-17-11-14-28-20-6-4-3-5-19(17)20)25-18-9-12-26(13-10-18)21(27)16-7-8-16/h3-6,16-18H,2,7-15H2,1H3,(H2,23,24,25).
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine has a molecular weight of 384.52 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine is sourced from PubChem (CID 119156015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).