N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide

C25H33N3O3 — CID 42780010

IUPACN-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)c(C)o1
InChIInChI=1S/C25H33N3O3/c1-18-15-23(19(2)31-18)25(30)28-12-6-9-21(17-28)24(29)26-22-10-13-27(14-11-22)16-20-7-4-3-5-8-20/h3-5,7-8,15,21-22H,6,9-14,16-17H2,1-2H3,(H,26,29)
InChIKeyXJZDTOCELDZJIX-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.53
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide (PubChem CID 42780010) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
PubChem CID42780010
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)c(C)o1
InChIInChI=1S/C25H33N3O3/c1-18-15-23(19(2)31-18)25(30)28-12-6-9-21(17-28)24(29)26-22-10-13-27(14-11-22)16-20-7-4-3-5-8-20/h3-5,7-8,15,21-22H,6,9-14,16-17H2,1-2H3,(H,26,29)
InChIKeyXJZDTOCELDZJIX-UHFFFAOYSA-N
XLogP3.53
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide
CID 93060233
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4285066
1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide
CID 4074750
(3R)-N-[(2R)-butan-2-yl]-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 815151
N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55556316
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 96578463
(3S)-N-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-3-carboxamide
CID 92682483
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119044723

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide (CID 42780010) is N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide is Cc1cc(C(=O)N2CCCC(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)c(C)o1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is XJZDTOCELDZJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-18-15-23(19(2)31-18)25(30)28-12-6-9-21(17-28)24(29)26-22-10-13-27(14-11-22)16-20-7-4-3-5-8-20/h3-5,7-8,15,21-22H,6,9-14,16-17H2,1-2H3,(H,26,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42780010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).