4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide

C25H42N4O3 — CID 110057410

IUPAC4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
SMILESc1coc(CCN/C(=N\CCCN2CCOCC2)N2CCC(OCC3CCCC3)CC2)c1
InChIInChI=1S/C25H42N4O3/c1-2-6-22(5-1)21-32-24-9-14-29(15-10-24)25(27-12-8-23-7-3-18-31-23)26-11-4-13-28-16-19-30-20-17-28/h3,7,18,22,24H,1-2,4-6,8-17,19-21H2,(H,26,27)
InChIKeyGKNQKBSFMAEZME-UHFFFAOYSA-N
MW446.64 g/mol
LogP3.16
Rot. Bonds10

About 4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide

4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide (PubChem CID 110057410) has the molecular formula C25H42N4O3 and a molecular weight of 446.64 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
PubChem CID110057410
Molecular FormulaC25H42N4O3
Molecular Weight446.64 g/mol
Exact Mass446.33
IUPAC Name4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
SMILESc1coc(CCN/C(=N\CCCN2CCOCC2)N2CCC(OCC3CCCC3)CC2)c1
InChIInChI=1S/C25H42N4O3/c1-2-6-22(5-1)21-32-24-9-14-29(15-10-24)25(27-12-8-23-7-3-18-31-23)26-11-4-13-28-16-19-30-20-17-28/h3,7,18,22,24H,1-2,4-6,8-17,19-21H2,(H,26,27)
InChIKeyGKNQKBSFMAEZME-UHFFFAOYSA-N
XLogP3.16
TPSA62.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)ethyl]-N'-(2-morpholin-4-ylethyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 110057355
N-[2-(furan-2-yl)ethyl]-4-(3-methoxypropoxy)-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110057809
N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
CID 110056334
methyl 1-[N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111252705
4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 110057383
N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 111153989
N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide
CID 110057330
ethyl 4-[N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]piperazine-1-carboxylate
CID 111163869
N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide
CID 110057376
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 111167781
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111167780
1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide
CID 110060643

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide?
The IUPAC name of 4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide (CID 110057410) is 4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide is c1coc(CCN/C(=N\CCCN2CCOCC2)N2CCC(OCC3CCCC3)CC2)c1.
What is the InChIKey of 4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide?
The InChIKey is GKNQKBSFMAEZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O3/c1-2-6-22(5-1)21-32-24-9-14-29(15-10-24)25(27-12-8-23-7-3-18-31-23)26-11-4-13-28-16-19-30-20-17-28/h3,7,18,22,24H,1-2,4-6,8-17,19-21H2,(H,26,27).
What are the key properties of 4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide?
4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide has a molecular weight of 446.64 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 110057410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).