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

C20H24N4OS — CID 127273242

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C20H24N4OS/c1-14-16(17-4-2-3-5-18(17)23-14)6-9-22-20(25)24-11-7-15(8-12-24)19-21-10-13-26-19/h2-5,10,13,15,23H,6-9,11-12H2,1H3,(H,22,25)
InChIKeyHKWOEODQSHKUCT-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.06
Rot. Bonds4

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

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 127273242) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID127273242
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C20H24N4OS/c1-14-16(17-4-2-3-5-18(17)23-14)6-9-22-20(25)24-11-7-15(8-12-24)19-21-10-13-26-19/h2-5,10,13,15,23H,6-9,11-12H2,1H3,(H,22,25)
InChIKeyHKWOEODQSHKUCT-UHFFFAOYSA-N
XLogP4.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 95604431
3-(azepan-1-ylmethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 86888651
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71868369
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
4-[(4-fluorophenyl)methyl]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 86882888
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124885278
N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119313731
4-[2-(2-methyl-1H-indol-3-yl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110813868
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea
CID 166262731

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 127273242) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC(c2nccs2)CC1.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is HKWOEODQSHKUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-14-16(17-4-2-3-5-18(17)23-14)6-9-22-20(25)24-11-7-15(8-12-24)19-21-10-13-26-19/h2-5,10,13,15,23H,6-9,11-12H2,1H3,(H,22,25).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 368.51 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 127273242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).