N-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide

C25H24N4O3 — CID 99786282

IUPACN-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)c1)c1ccco1
InChIInChI=1S/C25H24N4O3/c30-24(23-11-5-13-32-23)27-20-8-3-7-19(14-20)25(31)28-12-4-6-18(15-28)16-29-17-26-21-9-1-2-10-22(21)29/h1-3,5,7-11,13-14,17-18H,4,6,12,15-16H2,(H,27,30)/t18-/m1/s1
InChIKeyGCCOYLKUUANYKM-GOSISDBHSA-N
MW428.49 g/mol
LogP4.43
Rot. Bonds5

About N-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide

N-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 99786282) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID99786282
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)c1)c1ccco1
InChIInChI=1S/C25H24N4O3/c30-24(23-11-5-13-32-23)27-20-8-3-7-19(14-20)25(31)28-12-4-6-18(15-28)16-29-17-26-21-9-1-2-10-22(21)29/h1-3,5,7-11,13-14,17-18H,4,6,12,15-16H2,(H,27,30)/t18-/m1/s1
InChIKeyGCCOYLKUUANYKM-GOSISDBHSA-N
XLogP4.43
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 110897057
3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide
CID 126827644
N-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55821010
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119651912
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 78793816
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843452
1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone
CID 99797712
1-(3,5-dimethylbenzoyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide
CID 46490620
4-(benzimidazol-1-yl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 55950490
[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
CID 47184335
N-[2-methyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 119394743
(3aS,6aR)-2-[3-(furan-2-carbonylamino)benzoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683754

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide (CID 99786282) is N-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)c1)c1ccco1.
What is the InChIKey of N-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is GCCOYLKUUANYKM-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-24(23-11-5-13-32-23)27-20-8-3-7-19(14-20)25(31)28-12-4-6-18(15-28)16-29-17-26-21-9-1-2-10-22(21)29/h1-3,5,7-11,13-14,17-18H,4,6,12,15-16H2,(H,27,30)/t18-/m1/s1.
What are the key properties of N-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
N-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 99786282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).