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

C25H31ClN4O2 — CID 54575167

IUPAC4-amino-5-chloro-N-[[1-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccc3ccccc32)CC1
InChIInChI=1S/C25H31ClN4O2/c1-32-24-16-22(27)21(26)15-20(24)25(31)28-17-18-7-12-29(13-8-18)10-4-11-30-14-9-19-5-2-3-6-23(19)30/h2-3,5-6,9,14-16,18H,4,7-8,10-13,17,27H2,1H3,(H,28,31)
InChIKeyBACJEQJZMAJMGA-UHFFFAOYSA-N
MW455.00 g/mol
LogP4.42
Rot. Bonds8

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

4-amino-5-chloro-N-[[1-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide (PubChem CID 54575167) has the molecular formula C25H31ClN4O2 and a molecular weight of 455.00 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[[1-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[[1-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide
PubChem CID54575167
Molecular FormulaC25H31ClN4O2
Molecular Weight455.00 g/mol
Exact Mass454.21
IUPAC Name4-amino-5-chloro-N-[[1-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccc3ccccc32)CC1
InChIInChI=1S/C25H31ClN4O2/c1-32-24-16-22(27)21(26)15-20(24)25(31)28-17-18-7-12-29(13-8-18)10-4-11-30-14-9-19-5-2-3-6-23(19)30/h2-3,5-6,9,14-16,18H,4,7-8,10-13,17,27H2,1H3,(H,28,31)
InChIKeyBACJEQJZMAJMGA-UHFFFAOYSA-N
XLogP4.42
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.00
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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, 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-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[[1-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide (CID 54575167) is 4-amino-5-chloro-N-[[1-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[[1-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[[1-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccc3ccccc32)CC1.
What is the InChIKey of 4-amino-5-chloro-N-[[1-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
The InChIKey is BACJEQJZMAJMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O2/c1-32-24-16-22(27)21(26)15-20(24)25(31)28-17-18-7-12-29(13-8-18)10-4-11-30-14-9-19-5-2-3-6-23(19)30/h2-3,5-6,9,14-16,18H,4,7-8,10-13,17,27H2,1H3,(H,28,31).
What are the key properties of 4-amino-5-chloro-N-[[1-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[[1-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide has a molecular weight of 455.00 g/mol, XLogP of 4.42, 8 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-(3-indol-1-ylpropyl)piperidin-4-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 54575167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).