(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide

C22H23N3O3 — CID 129380761

IUPAC(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H23N3O3/c1-2-20(26)25-14-6-5-8-18(25)21(27)23-16-12-10-15(11-13-16)22-24-17-7-3-4-9-19(17)28-22/h3-4,7,9-13,18H,2,5-6,8,14H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyFIYMNGAMRHDBQE-GOSISDBHSA-N
MW377.44 g/mol
LogP4.22
Rot. Bonds4

About (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide

(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide (PubChem CID 129380761) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide
PubChem CID129380761
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H23N3O3/c1-2-20(26)25-14-6-5-8-18(25)21(27)23-16-12-10-15(11-13-16)22-24-17-7-3-4-9-19(17)28-22/h3-4,7,9-13,18H,2,5-6,8,14H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyFIYMNGAMRHDBQE-GOSISDBHSA-N
XLogP4.22
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxamide
CID 26407533
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
ethyl 4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 24599468
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 110909635
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 72926983
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-propanoylpiperidine-2-carboxamide
CID 120566427
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55493015
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-pent-4-enoylpiperidine-4-carboxamide
CID 45223847
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 119252262
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
CID 94141437
(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-propanoylpiperidine-2-carboxamide
CID 94141438

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide (CID 129380761) is (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide is CCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide?
The InChIKey is FIYMNGAMRHDBQE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-20(26)25-14-6-5-8-18(25)21(27)23-16-12-10-15(11-13-16)22-24-17-7-3-4-9-19(17)28-22/h3-4,7,9-13,18H,2,5-6,8,14H2,1H3,(H,23,27)/t18-/m1/s1.
What are the key properties of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide?
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide is sourced from PubChem (CID 129380761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).