3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide

C23H23N5O2 — CID 86933260

IUPAC3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cn2ccnc2)cc1)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C23H23N5O2/c29-23(25-19-9-7-17(8-10-19)14-27-13-11-24-16-27)28-12-3-4-18(15-28)22-26-20-5-1-2-6-21(20)30-22/h1-2,5-11,13,16,18H,3-4,12,14-15H2,(H,25,29)
InChIKeyXXJJJSBGMSCZKI-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.48
Rot. Bonds4

About 3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide

3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide (PubChem CID 86933260) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
PubChem CID86933260
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cn2ccnc2)cc1)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C23H23N5O2/c29-23(25-19-9-7-17(8-10-19)14-27-13-11-24-16-27)28-12-3-4-18(15-28)22-26-20-5-1-2-6-21(20)30-22/h1-2,5-11,13,16,18H,3-4,12,14-15H2,(H,25,29)
InChIKeyXXJJJSBGMSCZKI-UHFFFAOYSA-N
XLogP4.48
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide
CID 95129574
3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide
CID 166208156
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 86984028
3-(1,3-benzoxazol-2-yl)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 78886648
1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 118792880
3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide
CID 126793400
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009367
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide
CID 125444704
3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 75131700
3-(1,3-benzoxazol-2-yl)-N-(3-chloro-4-fluorophenyl)piperidine-1-carbothioamide
CID 21008648
4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 86933267
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-chlorophenyl)propanamide
CID 46402845

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide (CID 86933260) is 3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(Cn2ccnc2)cc1)N1CCCC(c2nc3ccccc3o2)C1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is XXJJJSBGMSCZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-23(25-19-9-7-17(8-10-19)14-27-13-11-24-16-27)28-12-3-4-18(15-28)22-26-20-5-1-2-6-21(20)30-22/h1-2,5-11,13,16,18H,3-4,12,14-15H2,(H,25,29).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 86933260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).