[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone

C23H30N4O3 — CID 99791335

IUPAC[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone
SMILESCOCCn1c(C)c(C)c2cc(C(=O)N3CCC([C@@H](O)c4ncc[nH]4)CC3)ccc21
InChIInChI=1S/C23H30N4O3/c1-15-16(2)27(12-13-30-3)20-5-4-18(14-19(15)20)23(29)26-10-6-17(7-11-26)21(28)22-24-8-9-25-22/h4-5,8-9,14,17,21,28H,6-7,10-13H2,1-3H3,(H,24,25)/t21-/m1/s1
InChIKeyNZZGCRKWGKNCRH-OAQYLSRUSA-N
MW410.52 g/mol
LogP3.21
Rot. Bonds6

About [4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone

[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone (PubChem CID 99791335) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is [4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone.

Molecular Properties

Compound Name[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone
PubChem CID99791335
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone
SMILESCOCCn1c(C)c(C)c2cc(C(=O)N3CCC([C@@H](O)c4ncc[nH]4)CC3)ccc21
InChIInChI=1S/C23H30N4O3/c1-15-16(2)27(12-13-30-3)20-5-4-18(14-19(15)20)23(29)26-10-6-17(7-11-26)21(28)22-24-8-9-25-22/h4-5,8-9,14,17,21,28H,6-7,10-13H2,1-3H3,(H,24,25)/t21-/m1/s1
InChIKeyNZZGCRKWGKNCRH-OAQYLSRUSA-N
XLogP3.21
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholine-2-carboxylic acid
CID 125120774
2-[cyclopropyl-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]propanoic acid
CID 119203397
2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid
CID 119248844
2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid
CID 119224087
(2S,3S)-2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-3-methylpentanoic acid
CID 119194363
1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953916
1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691158
(1-ethyl-2,3-dimethylindol-5-yl)-thiomorpholin-4-ylmethanone
CID 5015099
[5-(2-methoxyethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
CID 11855948
3-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207661
2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid
CID 86779598
[(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone
CID 51594671

Frequently Asked Questions

What is the IUPAC name of [4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone?
The IUPAC name of [4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone (CID 99791335) is [4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone.
What is the SMILES notation for [4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone?
The canonical SMILES for [4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone is COCCn1c(C)c(C)c2cc(C(=O)N3CCC([C@@H](O)c4ncc[nH]4)CC3)ccc21.
What is the InChIKey of [4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone?
The InChIKey is NZZGCRKWGKNCRH-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-15-16(2)27(12-13-30-3)20-5-4-18(14-19(15)20)23(29)26-10-6-17(7-11-26)21(28)22-24-8-9-25-22/h4-5,8-9,14,17,21,28H,6-7,10-13H2,1-3H3,(H,24,25)/t21-/m1/s1.
What are the key properties of [4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone?
[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone has a molecular weight of 410.52 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,3-dimethylindol-5-yl]methanone is sourced from PubChem (CID 99791335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).