1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide

C27H35N3O2 — CID 95088469

IUPAC1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)c2cc(OC)ccc21
InChIInChI=1S/C27H35N3O2/c1-4-30-19-23(25-16-24(32-3)10-11-26(25)30)18-29-14-12-22(13-15-29)27(31)28-17-20(2)21-8-6-5-7-9-21/h5-11,16,19-20,22H,4,12-15,17-18H2,1-3H3,(H,28,31)/t20-/m0/s1
InChIKeyADOOPPMVHBUKHK-FQEVSTJZSA-N
MW433.60 g/mol
LogP4.80
Rot. Bonds8

About 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide

1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide (PubChem CID 95088469) 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-[(2R)-2-phenylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide
PubChem CID95088469
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)c2cc(OC)ccc21
InChIInChI=1S/C27H35N3O2/c1-4-30-19-23(25-16-24(32-3)10-11-26(25)30)18-29-14-12-22(13-15-29)27(31)28-17-20(2)21-8-6-5-7-9-21/h5-11,16,19-20,22H,4,12-15,17-18H2,1-3H3,(H,28,31)/t20-/m0/s1
InChIKeyADOOPPMVHBUKHK-FQEVSTJZSA-N
XLogP4.80
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53117767
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-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 133234574
[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 92589969
N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 53036163
1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 93061536
1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid
CID 2903427
1-[(1-ethylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 53117852
methyl 1-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]piperidine-4-carboxylate
CID 8754473
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide (CID 95088469) is 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide is CCn1cc(CN2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)c2cc(OC)ccc21.
What is the InChIKey of 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide?
The InChIKey is ADOOPPMVHBUKHK-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-4-30-19-23(25-16-24(32-3)10-11-26(25)30)18-29-14-12-22(13-15-29)27(31)28-17-20(2)21-8-6-5-7-9-21/h5-11,16,19-20,22H,4,12-15,17-18H2,1-3H3,(H,28,31)/t20-/m0/s1.
What are the key properties of 1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide?
1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 4.80, 8 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-[(2R)-2-phenylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 95088469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).