4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide

C27H35ClN4O2 — CID 54575169

IUPAC4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCn2ccc3ccccc32)CC1
InChIInChI=1S/C27H35ClN4O2/c1-34-26-18-24(29)23(28)17-22(26)27(33)30-19-20-9-14-31(15-10-20)12-5-2-6-13-32-16-11-21-7-3-4-8-25(21)32/h3-4,7-8,11,16-18,20H,2,5-6,9-10,12-15,19,29H2,1H3,(H,30,33)
InChIKeyPRFWBAVJZPTKCH-UHFFFAOYSA-N
MW483.06 g/mol
LogP5.20
Rot. Bonds10

About 4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide

4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide (PubChem CID 54575169) has the molecular formula C27H35ClN4O2 and a molecular weight of 483.06 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide
PubChem CID54575169
Molecular FormulaC27H35ClN4O2
Molecular Weight483.06 g/mol
Exact Mass482.24
IUPAC Name4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCn2ccc3ccccc32)CC1
InChIInChI=1S/C27H35ClN4O2/c1-34-26-18-24(29)23(28)17-22(26)27(33)30-19-20-9-14-31(15-10-20)12-5-2-6-13-32-16-11-21-7-3-4-8-25(21)32/h3-4,7-8,11,16-18,20H,2,5-6,9-10,12-15,19,29H2,1H3,(H,30,33)
InChIKeyPRFWBAVJZPTKCH-UHFFFAOYSA-N
XLogP5.20
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.06
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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, 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
4-{2-[5-Chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-N-(pyridin-2-ylmethyl)-benzamide
CID 44432348

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide (CID 54575169) is 4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCn2ccc3ccccc32)CC1.
What is the InChIKey of 4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
The InChIKey is PRFWBAVJZPTKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O2/c1-34-26-18-24(29)23(28)17-22(26)27(33)30-19-20-9-14-31(15-10-20)12-5-2-6-13-32-16-11-21-7-3-4-8-25(21)32/h3-4,7-8,11,16-18,20H,2,5-6,9-10,12-15,19,29H2,1H3,(H,30,33).
What are the key properties of 4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide has a molecular weight of 483.06 g/mol, XLogP of 5.20, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[[1-(5-indol-1-ylpentyl)piperidin-4-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 54575169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).