N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide

C21H32N4O — CID 71695249

IUPACN-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide
SMILESCN(C)CCCNC(=O)C1CCN(Cc2cc3ccccc3n2C)CC1
InChIInChI=1S/C21H32N4O/c1-23(2)12-6-11-22-21(26)17-9-13-25(14-10-17)16-19-15-18-7-4-5-8-20(18)24(19)3/h4-5,7-8,15,17H,6,9-14,16H2,1-3H3,(H,22,26)
InChIKeyPZRZQHOCGLOUBG-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.46
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide

N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 71695249) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID71695249
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC NameN-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide
SMILESCN(C)CCCNC(=O)C1CCN(Cc2cc3ccccc3n2C)CC1
InChIInChI=1S/C21H32N4O/c1-23(2)12-6-11-22-21(26)17-9-13-25(14-10-17)16-19-15-18-7-4-5-8-20(18)24(19)3/h4-5,7-8,15,17H,6,9-14,16H2,1-3H3,(H,22,26)
InChIKeyPZRZQHOCGLOUBG-UHFFFAOYSA-N
XLogP2.46
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
CID 110468895
N-butyl-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807674
1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 50807695
N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide
CID 50807588
1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 50807561
1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 50807560
4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid
CID 142781838
N-[3-(dimethylamino)propyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142402
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 38150611
N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009397
N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585883
1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(3-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide
CID 22585874

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide (CID 71695249) is N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide is CN(C)CCCNC(=O)C1CCN(Cc2cc3ccccc3n2C)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is PZRZQHOCGLOUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-23(2)12-6-11-22-21(26)17-9-13-25(14-10-17)16-19-15-18-7-4-5-8-20(18)24(19)3/h4-5,7-8,15,17H,6,9-14,16H2,1-3H3,(H,22,26).
What are the key properties of N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-[(1-methylindol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71695249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).