(3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide

C26H26N4O2 — CID 42526517

IUPAC(3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(Cc2cccn2-c2cccnc2)C1
InChIInChI=1S/C26H26N4O2/c31-26(28-22-11-9-20(10-12-22)25-8-4-16-32-25)21-5-2-14-29(18-21)19-24-7-3-15-30(24)23-6-1-13-27-17-23/h1,3-4,6-13,15-17,21H,2,5,14,18-19H2,(H,28,31)/t21-/m1/s1
InChIKeyIHUAIJGQLQFRIJ-OAQYLSRUSA-N
MW426.52 g/mol
LogP4.98
Rot. Bonds6

About (3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide

(3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 42526517) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is (3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID42526517
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name(3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(Cc2cccn2-c2cccnc2)C1
InChIInChI=1S/C26H26N4O2/c31-26(28-22-11-9-20(10-12-22)25-8-4-16-32-25)21-5-2-14-29(18-21)19-24-7-3-15-30(24)23-6-1-13-27-17-23/h1,3-4,6-13,15-17,21H,2,5,14,18-19H2,(H,28,31)/t21-/m1/s1
InChIKeyIHUAIJGQLQFRIJ-OAQYLSRUSA-N
XLogP4.98
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 45175122
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CID 94909017
(3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 25374621
1-[(3,4-difluorophenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide
CID 162659444
(3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide
CID 42191121
(4-methylsulfanylphenyl)-[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone
CID 25275190
1-(furan-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24790060
(9aS)-2-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 50965676
(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide
CID 51903477
(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide
CID 42348707
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95345095
2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
CID 169213851

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide (CID 42526517) is (3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide is O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(Cc2cccn2-c2cccnc2)C1.
What is the InChIKey of (3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is IHUAIJGQLQFRIJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-26(28-22-11-9-20(10-12-22)25-8-4-16-32-25)21-5-2-14-29(18-21)19-24-7-3-15-30(24)23-6-1-13-27-17-23/h1,3-4,6-13,15-17,21H,2,5,14,18-19H2,(H,28,31)/t21-/m1/s1.
What are the key properties of (3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide?
(3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 42526517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).