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

C25H31N3O — CID 53036242

IUPACN-benzyl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide
SMILESCCn1c(C)c(CN2CCC(C(=O)NCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C25H31N3O/c1-3-28-19(2)23(22-11-7-8-12-24(22)28)18-27-15-13-21(14-16-27)25(29)26-17-20-9-5-4-6-10-20/h4-12,21H,3,13-18H2,1-2H3,(H,26,29)
InChIKeyFWXWOFUURWBPIN-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.50
Rot. Bonds6

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

N-benzyl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 53036242) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-benzyl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID53036242
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-benzyl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide
SMILESCCn1c(C)c(CN2CCC(C(=O)NCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C25H31N3O/c1-3-28-19(2)23(22-11-7-8-12-24(22)28)18-27-15-13-21(14-16-27)25(29)26-17-20-9-5-4-6-10-20/h4-12,21H,3,13-18H2,1-2H3,(H,26,29)
InChIKeyFWXWOFUURWBPIN-UHFFFAOYSA-N
XLogP4.50
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.50
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-butan-2-yl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 53036243
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036
N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585883
1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 136579023
methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 27107110
N-benzyl-1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 26653754
N-benzyl-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 26653391
3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 146136645
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807642
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide (CID 53036242) is N-benzyl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide is CCn1c(C)c(CN2CCC(C(=O)NCc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of N-benzyl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is FWXWOFUURWBPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-3-28-19(2)23(22-11-7-8-12-24(22)28)18-27-15-13-21(14-16-27)25(29)26-17-20-9-5-4-6-10-20/h4-12,21H,3,13-18H2,1-2H3,(H,26,29).
What are the key properties of N-benzyl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide?
N-benzyl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(1-ethyl-2-methylindol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53036242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).