N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide

C26H35N3O3 — CID 51132454

IUPACN-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C26H35N3O3/c1-2-13-29(24-9-6-14-27(19-24)18-21-7-4-3-5-8-21)26(31)22-10-15-28(16-11-22)25(30)23-12-17-32-20-23/h3-5,7-8,12,17,20,22,24H,2,6,9-11,13-16,18-19H2,1H3
InChIKeySPVGHTUDFXCZAG-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.03
Rot. Bonds7

About N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide

N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide (PubChem CID 51132454) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide
PubChem CID51132454
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C26H35N3O3/c1-2-13-29(24-9-6-14-27(19-24)18-21-7-4-3-5-8-21)26(31)22-10-15-28(16-11-22)25(30)23-12-17-32-20-23/h3-5,7-8,12,17,20,22,24H,2,6,9-11,13-16,18-19H2,1H3
InChIKeySPVGHTUDFXCZAG-UHFFFAOYSA-N
XLogP4.03
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide
CID 119857600
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
N-cycloheptyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 134048834
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 52511574
N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide
CID 129432508
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 95284465
N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide
CID 95274228
N-ethyl-1-(furan-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 43054894
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
2-(aminomethyl)-N-(1-benzylpiperidin-3-yl)-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119857615
1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 86828642

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide (CID 51132454) is N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide is CCCN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide?
The InChIKey is SPVGHTUDFXCZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-2-13-29(24-9-6-14-27(19-24)18-21-7-4-3-5-8-21)26(31)22-10-15-28(16-11-22)25(30)23-12-17-32-20-23/h3-5,7-8,12,17,20,22,24H,2,6,9-11,13-16,18-19H2,1H3.
What are the key properties of N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide?
N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 51132454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).