1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide

C25H31ClN4O — CID 53117838

IUPAC1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(CNC(=O)C2CCN(Cc3cn(C)c4ccc(Cl)cc34)CC2)cc1
InChIInChI=1S/C25H31ClN4O/c1-28(2)22-7-4-18(5-8-22)15-27-25(31)19-10-12-30(13-11-19)17-20-16-29(3)24-9-6-21(26)14-23(20)24/h4-9,14,16,19H,10-13,15,17H2,1-3H3,(H,27,31)
InChIKeyQXIILDYQMDMTMC-UHFFFAOYSA-N
MW439.00 g/mol
LogP4.43
Rot. Bonds6

About 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide

1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 53117838) has the molecular formula C25H31ClN4O and a molecular weight of 439.00 g/mol. Its IUPAC name is 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide
PubChem CID53117838
Molecular FormulaC25H31ClN4O
Molecular Weight439.00 g/mol
Exact Mass438.22
IUPAC Name1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(CNC(=O)C2CCN(Cc3cn(C)c4ccc(Cl)cc34)CC2)cc1
InChIInChI=1S/C25H31ClN4O/c1-28(2)22-7-4-18(5-8-22)15-27-25(31)19-10-12-30(13-11-19)17-20-16-29(3)24-9-6-21(26)14-23(20)24/h4-9,14,16,19H,10-13,15,17H2,1-3H3,(H,27,31)
InChIKeyQXIILDYQMDMTMC-UHFFFAOYSA-N
XLogP4.43
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 95088489
1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 53117839
1-[(2-chloro-6-fluorophenyl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide
CID 53284587
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 99827159
1-[(2,4-dichlorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917689
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43917693
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43917657
[1-[(5-chloro-1-methylindol-3-yl)methyl]piperidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 53013307
N-[[4-(dimethylamino)phenyl]methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807745
1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 25246790

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide (CID 53117838) is 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide is CN(C)c1ccc(CNC(=O)C2CCN(Cc3cn(C)c4ccc(Cl)cc34)CC2)cc1.
What is the InChIKey of 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is QXIILDYQMDMTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O/c1-28(2)22-7-4-18(5-8-22)15-27-25(31)19-10-12-30(13-11-19)17-20-16-29(3)24-9-6-21(26)14-23(20)24/h4-9,14,16,19H,10-13,15,17H2,1-3H3,(H,27,31).
What are the key properties of 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide?
1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 439.00 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53117838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).