N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide

C24H29N3O2 — CID 120617194

IUPACN-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)CCNCC1
InChIInChI=1S/C24H29N3O2/c1-29-17-24(11-13-25-14-12-24)23(28)27-15-20(18-7-3-2-4-8-18)21-16-26-22-10-6-5-9-19(21)22/h2-10,16,20,25-26H,11-15,17H2,1H3,(H,27,28)
InChIKeyANPFYZBPWOTGLP-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.43
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120617194) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120617194
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)CCNCC1
InChIInChI=1S/C24H29N3O2/c1-29-17-24(11-13-25-14-12-24)23(28)27-15-20(18-7-3-2-4-8-18)21-16-26-22-10-6-5-9-19(21)22/h2-10,16,20,25-26H,11-15,17H2,1H3,(H,27,28)
InChIKeyANPFYZBPWOTGLP-UHFFFAOYSA-N
XLogP3.43
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide
CID 31818312
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92876039
(1S)-2,2-dichloro-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 31854198
2,2-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 43005305
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide
CID 167880363
N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide
CID 4880396

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120617194) is N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NCC(c2ccccc2)c2c[nH]c3ccccc23)CCNCC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is ANPFYZBPWOTGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-29-17-24(11-13-25-14-12-24)23(28)27-15-20(18-7-3-2-4-8-18)21-16-26-22-10-6-5-9-19(21)22/h2-10,16,20,25-26H,11-15,17H2,1H3,(H,27,28).
What are the key properties of N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120617194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).