(4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate

C22H25N3O3 — CID 22611431

IUPAC(4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate
SMILESCOc1ccc(OC(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3c2)cc1
InChIInChI=1S/C22H25N3O3/c1-25-11-9-15(10-12-25)20-14-23-21-8-3-16(13-19(20)21)24-22(26)28-18-6-4-17(27-2)5-7-18/h3-8,13-15,23H,9-12H2,1-2H3,(H,24,26)
InChIKeyFGHNNGSFKDMLSH-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.60
Rot. Bonds4

About (4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate

(4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate (PubChem CID 22611431) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate
PubChem CID22611431
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate
SMILESCOc1ccc(OC(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3c2)cc1
InChIInChI=1S/C22H25N3O3/c1-25-11-9-15(10-12-25)20-14-23-21-8-3-16(13-19(20)21)24-22(26)28-18-6-4-17(27-2)5-7-18/h3-8,13-15,23H,9-12H2,1-2H3,(H,24,26)
InChIKeyFGHNNGSFKDMLSH-UHFFFAOYSA-N
XLogP4.60
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611451
(E)-but-2-enedioic acid;3-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611180
3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611201
5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15871195
but-2-enedioic acid;N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide
CID 70104762
4-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzenecarbothioamide
CID 140998243
4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 19601454
4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate
CID 142627288
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 41414916
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate?
The IUPAC name of (4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate (CID 22611431) is (4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate?
The canonical SMILES for (4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate is COc1ccc(OC(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3c2)cc1.
What is the InChIKey of (4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate?
The InChIKey is FGHNNGSFKDMLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-25-11-9-15(10-12-25)20-14-23-21-8-3-16(13-19(20)21)24-22(26)28-18-6-4-17(27-2)5-7-18/h3-8,13-15,23H,9-12H2,1-2H3,(H,24,26).
What are the key properties of (4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate?
(4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate has a molecular weight of 379.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate is sourced from PubChem (CID 22611431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).