N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide

C23H25F2N3O2 — CID 86900823

IUPACN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1c[nH]c2cc(F)ccc12)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25F2N3O2/c24-18-3-1-15(2-4-18)22(29)16-8-11-28(12-9-16)23(30)26-10-7-17-14-27-21-13-19(25)5-6-20(17)21/h1-6,13-14,16,22,27,29H,7-12H2,(H,26,30)
InChIKeySZORORHUJJTPRC-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.14
Rot. Bonds5

About N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide (PubChem CID 86900823) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
PubChem CID86900823
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1c[nH]c2cc(F)ccc12)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25F2N3O2/c24-18-3-1-15(2-4-18)22(29)16-8-11-28(12-9-16)23(30)26-10-7-17-14-27-21-13-19(25)5-6-20(17)21/h1-6,13-14,16,22,27,29H,7-12H2,(H,26,30)
InChIKeySZORORHUJJTPRC-UHFFFAOYSA-N
XLogP4.14
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-hydroxyethyl)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 111438569
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122013428
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 139010935
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119280013
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119706148
ethyl 4-[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111164479
N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
CID 111109553
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 111482924
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide (CID 86900823) is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide is O=C(NCCc1c[nH]c2cc(F)ccc12)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide?
The InChIKey is SZORORHUJJTPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c24-18-3-1-15(2-4-18)22(29)16-8-11-28(12-9-16)23(30)26-10-7-17-14-27-21-13-19(25)5-6-20(17)21/h1-6,13-14,16,22,27,29H,7-12H2,(H,26,30).
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide?
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide is sourced from PubChem (CID 86900823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).