4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide

C24H29ClN4O2 — CID 54575225

IUPAC4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C24H29ClN4O2/c1-28-14-17(18-5-3-4-6-22(18)28)15-29-9-7-16(8-10-29)13-27-24(30)19-11-20(25)21(26)12-23(19)31-2/h3-6,11-12,14,16H,7-10,13,15,26H2,1-2H3,(H,27,30)
InChIKeyHJDQPKAAQATROQ-UHFFFAOYSA-N
MW440.98 g/mol
LogP4.06
Rot. Bonds6

About 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide

4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide (PubChem CID 54575225) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide
PubChem CID54575225
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C24H29ClN4O2/c1-28-14-17(18-5-3-4-6-22(18)28)15-29-9-7-16(8-10-29)13-27-24(30)19-11-20(25)21(26)12-23(19)31-2/h3-6,11-12,14,16H,7-10,13,15,26H2,1-2H3,(H,27,30)
InChIKeyHJDQPKAAQATROQ-UHFFFAOYSA-N
XLogP4.06
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide with MolForge

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Related Compounds

(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[2-(1H-indol-4-yloxy)ethylamino]methyl]piperidin-1-yl]methanone
CID 132247301
Indomethacin-amide derivative, 20
CID 4295
Indomethacin-amide derivative, 14
CID 4963667
Indomethacin-amide derivative, 15
CID 42618094
Indomethacin-amide derivative, 19
CID 42618095
Indomethacin-amide derivative, 18
CID 42618096
1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one
CID 134828069
1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one
CID 134828071
1-(4-benzoylpiperazin-1-yl)-2-(7-chloro-4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506247
4-amino-5-chloro-N-[1-[8-[2-(1H-indol-3-yl)ethyl-methylamino]octyl]piperidin-4-yl]-2-methoxybenzamide
CID 44248186
5-chloro-2-methoxy-N-5-quinolinylbenzamide
CID 974232
4-(3-Acetylindol-1-yl)-2-methoxybenzamide
CID 16066441

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide (CID 54575225) is 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide is COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cn(C)c3ccccc23)CC1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is HJDQPKAAQATROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-28-14-17(18-5-3-4-6-22(18)28)15-29-9-7-16(8-10-29)13-27-24(30)19-11-20(25)21(26)12-23(19)31-2/h3-6,11-12,14,16H,7-10,13,15,26H2,1-2H3,(H,27,30).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 440.98 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 54575225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).