[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone

C21H26N4O2 — CID 72915978

IUPAC[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCOCCn1ccnc1C1CCCN(C(=O)c2cc3ccccc3n2C)C1
InChIInChI=1S/C21H26N4O2/c1-23-18-8-4-3-6-16(18)14-19(23)21(26)25-10-5-7-17(15-25)20-22-9-11-24(20)12-13-27-2/h3-4,6,8-9,11,14,17H,5,7,10,12-13,15H2,1-2H3
InChIKeyMATJQSQLTNSXFK-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.04
Rot. Bonds5

About [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone

[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone (PubChem CID 72915978) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
PubChem CID72915978
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCOCCn1ccnc1C1CCCN(C(=O)c2cc3ccccc3n2C)C1
InChIInChI=1S/C21H26N4O2/c1-23-18-8-4-3-6-16(18)14-19(23)21(26)25-10-5-7-17(15-25)20-22-9-11-24(20)12-13-27-2/h3-4,6,8-9,11,14,17H,5,7,10,12-13,15H2,1-2H3
InChIKeyMATJQSQLTNSXFK-UHFFFAOYSA-N
XLogP3.04
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97148687
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 72858370
[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 3867068
5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 97282875
1H-indazol-3-yl-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97128822
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 97278548
(4-chloro-2-methylphenyl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97268879
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97148152
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
CID 72860979
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
CID 97279430
1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 97131606
(4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97280731

Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone?
The IUPAC name of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone (CID 72915978) is [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone.
What is the SMILES notation for [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone?
The canonical SMILES for [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone is COCCn1ccnc1C1CCCN(C(=O)c2cc3ccccc3n2C)C1.
What is the InChIKey of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone?
The InChIKey is MATJQSQLTNSXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-23-18-8-4-3-6-16(18)14-19(23)21(26)25-10-5-7-17(15-25)20-22-9-11-24(20)12-13-27-2/h3-4,6,8-9,11,14,17H,5,7,10,12-13,15H2,1-2H3.
What are the key properties of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone?
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone has a molecular weight of 366.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone is sourced from PubChem (CID 72915978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).