N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide

C26H29N3O3 — CID 45216009

IUPACN-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CCN(C(=O)C2CCCCO2)CC1
InChIInChI=1S/C26H29N3O3/c30-25(19-12-14-29(15-13-19)26(31)24-7-3-4-16-32-24)27-21-10-8-18(9-11-21)23-17-20-5-1-2-6-22(20)28-23/h1-2,5-6,8-11,17,19,24,28H,3-4,7,12-16H2,(H,27,30)
InChIKeyCFPLWTHOHFZBCK-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.58
Rot. Bonds4

About N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide

N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide (PubChem CID 45216009) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
PubChem CID45216009
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CCN(C(=O)C2CCCCO2)CC1
InChIInChI=1S/C26H29N3O3/c30-25(19-12-14-29(15-13-19)26(31)24-7-3-4-16-32-24)27-21-10-8-18(9-11-21)23-17-20-5-1-2-6-22(20)28-23/h1-2,5-6,8-11,17,19,24,28H,3-4,7,12-16H2,(H,27,30)
InChIKeyCFPLWTHOHFZBCK-UHFFFAOYSA-N
XLogP4.58
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45236535
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide
CID 42196348
N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
CID 20934546
N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide
CID 26324558
(2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 42241508
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 26401813
methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72859425
N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 45203674
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 113088297
N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008099
1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
CID 26324213

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide (CID 45216009) is N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CCN(C(=O)C2CCCCO2)CC1.
What is the InChIKey of N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is CFPLWTHOHFZBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c30-25(19-12-14-29(15-13-19)26(31)24-7-3-4-16-32-24)27-21-10-8-18(9-11-21)23-17-20-5-1-2-6-22(20)28-23/h1-2,5-6,8-11,17,19,24,28H,3-4,7,12-16H2,(H,27,30).
What are the key properties of N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide?
N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 45216009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).