1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide

C27H35N3O2 — CID 53117767

IUPAC1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)NCCCc3ccccc3)CC2)c2cc(OC)ccc21
InChIInChI=1S/C27H35N3O2/c1-3-30-20-23(25-18-24(32-2)11-12-26(25)30)19-29-16-13-22(14-17-29)27(31)28-15-7-10-21-8-5-4-6-9-21/h4-6,8-9,11-12,18,20,22H,3,7,10,13-17,19H2,1-2H3,(H,28,31)
InChIKeyUIAHFQOGFXPPFU-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.63
Rot. Bonds9

About 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide

1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 53117767) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID53117767
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)NCCCc3ccccc3)CC2)c2cc(OC)ccc21
InChIInChI=1S/C27H35N3O2/c1-3-30-20-23(25-18-24(32-2)11-12-26(25)30)19-29-16-13-22(14-17-29)27(31)28-15-7-10-21-8-5-4-6-9-21/h4-6,8-9,11-12,18,20,22H,3,7,10,13-17,19H2,1-2H3,(H,28,31)
InChIKeyUIAHFQOGFXPPFU-UHFFFAOYSA-N
XLogP4.63
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide
CID 95088469
N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
CID 53117776
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
CID 20974080
azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone
CID 53117764
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 93061536
1-[(1-ethylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 53117852
1-[(3,4-dichlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46773556
[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 92589969
N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46765228
N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide
CID 10926166

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 53117767) is 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide is CCn1cc(CN2CCC(C(=O)NCCCc3ccccc3)CC2)c2cc(OC)ccc21.
What is the InChIKey of 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is UIAHFQOGFXPPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-3-30-20-23(25-18-24(32-2)11-12-26(25)30)19-29-16-13-22(14-17-29)27(31)28-15-7-10-21-8-5-4-6-9-21/h4-6,8-9,11-12,18,20,22H,3,7,10,13-17,19H2,1-2H3,(H,28,31).
What are the key properties of 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 53117767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).