N-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide

C22H33N3O — CID 53036243

IUPACN-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(Cc2c(C)n(CC)c3ccccc23)CC1
InChIInChI=1S/C22H33N3O/c1-5-16(3)23-22(26)18-11-13-24(14-12-18)15-20-17(4)25(6-2)21-10-8-7-9-19(20)21/h7-10,16,18H,5-6,11-15H2,1-4H3,(H,23,26)
InChIKeyJCEHTKSMMRLJJB-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.10
Rot. Bonds6

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

N-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 53036243) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is N-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID53036243
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC NameN-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(Cc2c(C)n(CC)c3ccccc23)CC1
InChIInChI=1S/C22H33N3O/c1-5-16(3)23-22(26)18-11-13-24(14-12-18)15-20-17(4)25(6-2)21-10-8-7-9-19(20)21/h7-10,16,18H,5-6,11-15H2,1-4H3,(H,23,26)
InChIKeyJCEHTKSMMRLJJB-UHFFFAOYSA-N
XLogP4.10
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 53036242
N-butan-2-yl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 46949906
N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 795617
N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 94223708
N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807667
N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 134799756
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923575
N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
CID 113002830
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43923580
1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953916

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide (CID 53036243) is N-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(Cc2c(C)n(CC)c3ccccc23)CC1.
What is the InChIKey of N-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is JCEHTKSMMRLJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-5-16(3)23-22(26)18-11-13-24(14-12-18)15-20-17(4)25(6-2)21-10-8-7-9-19(20)21/h7-10,16,18H,5-6,11-15H2,1-4H3,(H,23,26).
What are the key properties of N-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide?
N-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 355.53 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53036243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).