N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C25H29N3O3 — CID 60520759

IUPACN-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C25H29N3O3/c29-24(13-17-31-21-6-2-1-3-7-21)28-15-11-19(12-16-28)25(30)26-14-10-20-18-27-23-9-5-4-8-22(20)23/h1-9,18-19,27H,10-17H2,(H,26,30)
InChIKeyFSSZPTOHPMGSQZ-UHFFFAOYSA-N
MW419.52 g/mol
LogP3.53
Rot. Bonds8

About N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 60520759) has the molecular formula C25H29N3O3 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID60520759
Molecular FormulaC25H29N3O3
Molecular Weight419.52 g/mol
Exact Mass419.22
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C25H29N3O3/c29-24(13-17-31-21-6-2-1-3-7-21)28-15-11-19(12-16-28)25(30)26-14-10-20-18-27-23-9-5-4-8-22(20)23/h1-9,18-19,27H,10-17H2,(H,26,30)
InChIKeyFSSZPTOHPMGSQZ-UHFFFAOYSA-N
XLogP3.53
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26710672
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110397481
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
N-[2-(dimethylamino)ethyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113003443
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856671
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 55860208
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993925

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 60520759) is N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is FSSZPTOHPMGSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-24(13-17-31-21-6-2-1-3-7-21)28-15-11-19(12-16-28)25(30)26-14-10-20-18-27-23-9-5-4-8-22(20)23/h1-9,18-19,27H,10-17H2,(H,26,30).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 419.52 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 60520759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).