N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide

C29H35N3O4 — CID 42757286

IUPACN-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C29H35N3O4/c1-2-35-18-7-15-30-28(33)25-21-24(31-29(34)27-10-6-19-36-27)11-12-26(25)32-16-13-23(14-17-32)20-22-8-4-3-5-9-22/h3-6,8-12,19,21,23H,2,7,13-18,20H2,1H3,(H,30,33)(H,31,34)
InChIKeyAPAYIYHTKSUIDR-UHFFFAOYSA-N
MW489.62 g/mol
LogP5.15
Rot. Bonds11

About N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide

N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 42757286) has the molecular formula C29H35N3O4 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID42757286
Molecular FormulaC29H35N3O4
Molecular Weight489.62 g/mol
Exact Mass489.26
IUPAC NameN-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C29H35N3O4/c1-2-35-18-7-15-30-28(33)25-21-24(31-29(34)27-10-6-19-36-27)11-12-26(25)32-16-13-23(14-17-32)20-22-8-4-3-5-9-22/h3-6,8-12,19,21,23H,2,7,13-18,20H2,1H3,(H,30,33)(H,31,34)
InChIKeyAPAYIYHTKSUIDR-UHFFFAOYSA-N
XLogP5.15
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide
CID 4042183
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide
CID 42757285
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide
CID 4261431
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide
CID 3313553
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide
CID 3341979
2-(4-benzylpiperidin-1-yl)-5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)benzamide
CID 4297190
N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 3520444
2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide
CID 4286420
2-(4-benzylpiperidin-1-yl)-5-[(4-butoxybenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 3371890
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 3605278
N-[4-(4-benzylpiperidin-1-yl)-3-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 42762477
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
CID 3987638

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide (CID 42757286) is N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide is CCOCCCNC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is APAYIYHTKSUIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4/c1-2-35-18-7-15-30-28(33)25-21-24(31-29(34)27-10-6-19-36-27)11-12-26(25)32-16-13-23(14-17-32)20-22-8-4-3-5-9-22/h3-6,8-12,19,21,23H,2,7,13-18,20H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide?
N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 5.15, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 42757286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).