4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide

C23H27ClN4O2 — CID 122198583

IUPAC4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCNC(Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C23H27ClN4O2/c1-30-22-11-20(25)19(24)10-18(22)23(29)28-12-14-6-7-26-16(8-14)9-15-13-27-21-5-3-2-4-17(15)21/h2-5,10-11,13-14,16,26-27H,6-9,12,25H2,1H3,(H,28,29)
InChIKeyLQSJKZJFLBYWLI-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.75
Rot. Bonds6

About 4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide

4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide (PubChem CID 122198583) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide
PubChem CID122198583
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCNC(Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C23H27ClN4O2/c1-30-22-11-20(25)19(24)10-18(22)23(29)28-12-14-6-7-26-16(8-14)9-15-13-27-21-5-3-2-4-17(15)21/h2-5,10-11,13-14,16,26-27H,6-9,12,25H2,1H3,(H,28,29)
InChIKeyLQSJKZJFLBYWLI-UHFFFAOYSA-N
XLogP3.75
TPSA92.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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, 15
CID 42618094
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
2-(5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 10310740
4-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 44432350
4-{2-[5-Chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-N-(pyridin-4-ylmethyl)-benzamide
CID 44432353
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]benzamide
CID 68592484
Benzamide, N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-
CID 71449489
6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 155549879

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide (CID 122198583) is 4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NCC1CCNC(Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of 4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
The InChIKey is LQSJKZJFLBYWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-30-22-11-20(25)19(24)10-18(22)23(29)28-12-14-6-7-26-16(8-14)9-15-13-27-21-5-3-2-4-17(15)21/h2-5,10-11,13-14,16,26-27H,6-9,12,25H2,1H3,(H,28,29).
What are the key properties of 4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide has a molecular weight of 426.95 g/mol, XLogP of 3.75, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[[2-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 122198583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).