(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide

C22H32N4O — CID 118782792

IUPAC(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)[C@@H]1CCCN1C1CCN(C)CC1
InChIInChI=1S/C22H32N4O/c1-17-16-18-6-3-4-7-20(18)25(17)15-11-23-22(27)21-8-5-12-26(21)19-9-13-24(2)14-10-19/h3-4,6-7,16,19,21H,5,8-15H2,1-2H3,(H,23,27)/t21-/m0/s1
InChIKeyHUPGVGVYEJFTNT-NRFANRHFSA-N
MW368.52 g/mol
LogP2.62
Rot. Bonds5

About (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide

(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 118782792) has the molecular formula C22H32N4O and a molecular weight of 368.52 g/mol. Its IUPAC name is (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID118782792
Molecular FormulaC22H32N4O
Molecular Weight368.52 g/mol
Exact Mass368.26
IUPAC Name(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)[C@@H]1CCCN1C1CCN(C)CC1
InChIInChI=1S/C22H32N4O/c1-17-16-18-6-3-4-7-20(18)25(17)15-11-23-22(27)21-8-5-12-26(21)19-9-13-24(2)14-10-19/h3-4,6-7,16,19,21H,5,8-15H2,1-2H3,(H,23,27)/t21-/m0/s1
InChIKeyHUPGVGVYEJFTNT-NRFANRHFSA-N
XLogP2.62
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 45172641
N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911026
(3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126437362
N-[2-(2-methylindol-1-yl)ethyl]-2,2-diphenylacetamide
CID 3473428
N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118534964
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3314807
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3311967
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
CID 90680556
2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4690489
N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide
CID 90680601

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide (CID 118782792) is (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide is Cc1cc2ccccc2n1CCNC(=O)[C@@H]1CCCN1C1CCN(C)CC1.
What is the InChIKey of (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is HUPGVGVYEJFTNT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H32N4O/c1-17-16-18-6-3-4-7-20(18)25(17)15-11-23-22(27)21-8-5-12-26(21)19-9-13-24(2)14-10-19/h3-4,6-7,16,19,21H,5,8-15H2,1-2H3,(H,23,27)/t21-/m0/s1.
What are the key properties of (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 118782792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).