N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide

C23H29N3O2 — CID 54567819

IUPACN-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide
SMILESCCC(CC)N1CCC(c2c[nH]c3ccc(NC(=O)c4ccoc4)cc23)CC1
InChIInChI=1S/C23H29N3O2/c1-3-19(4-2)26-10-7-16(8-11-26)21-14-24-22-6-5-18(13-20(21)22)25-23(27)17-9-12-28-15-17/h5-6,9,12-16,19,24H,3-4,7-8,10-11H2,1-2H3,(H,25,27)
InChIKeyZVCBXJABNOGUIA-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.38
Rot. Bonds6

About N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide

N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide (PubChem CID 54567819) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide
PubChem CID54567819
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide
SMILESCCC(CC)N1CCC(c2c[nH]c3ccc(NC(=O)c4ccoc4)cc23)CC1
InChIInChI=1S/C23H29N3O2/c1-3-19(4-2)26-10-7-16(8-11-26)21-14-24-22-6-5-18(13-20(21)22)25-23(27)17-9-12-28-15-17/h5-6,9,12-16,19,24H,3-4,7-8,10-11H2,1-2H3,(H,25,27)
InChIKeyZVCBXJABNOGUIA-UHFFFAOYSA-N
XLogP5.38
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 54306354
3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611201
4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881551
4-fluoro-N-[3-[1-[2-[2-[2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]ethoxy]ethoxy]ethyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882268
but-2-enedioic acid;N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide
CID 70104762
N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide
CID 118865696
4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate
CID 142627288
(E)-but-2-enedioic acid;3-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611180
2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611451
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide
CID 54368561
1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea
CID 54233001
N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide
CID 118865652

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide?
The IUPAC name of N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide (CID 54567819) is N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide?
The canonical SMILES for N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide is CCC(CC)N1CCC(c2c[nH]c3ccc(NC(=O)c4ccoc4)cc23)CC1.
What is the InChIKey of N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide?
The InChIKey is ZVCBXJABNOGUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-19(4-2)26-10-7-16(8-11-26)21-14-24-22-6-5-18(13-20(21)22)25-23(27)17-9-12-28-15-17/h5-6,9,12-16,19,24H,3-4,7-8,10-11H2,1-2H3,(H,25,27).
What are the key properties of N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide?
N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide is sourced from PubChem (CID 54567819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).