N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

C24H25N3O3 — CID 55851171

IUPACN-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCCCC2)c1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C24H25N3O3/c28-23(19-8-5-10-21(16-19)26-24(29)22-11-6-14-30-22)25-20-9-4-7-18(15-20)17-27-12-2-1-3-13-27/h4-11,14-16H,1-3,12-13,17H2,(H,25,28)(H,26,29)
InChIKeyPMNPCJHAXBFYGZ-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.77
Rot. Bonds6

About N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55851171) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55851171
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCCCC2)c1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C24H25N3O3/c28-23(19-8-5-10-21(16-19)26-24(29)22-11-6-14-30-22)25-20-9-4-7-18(15-20)17-27-12-2-1-3-13-27/h4-11,14-16H,1-3,12-13,17H2,(H,25,28)(H,26,29)
InChIKeyPMNPCJHAXBFYGZ-UHFFFAOYSA-N
XLogP4.77
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55843395
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide
CID 55849634
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 55851171) is N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(CN2CCCCC2)c1)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is PMNPCJHAXBFYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-23(19-8-5-10-21(16-19)26-24(29)22-11-6-14-30-22)25-20-9-4-7-18(15-20)17-27-12-2-1-3-13-27/h4-11,14-16H,1-3,12-13,17H2,(H,25,28)(H,26,29).
What are the key properties of N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55851171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).