N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

C28H36N4O2 — CID 67061950

IUPACN-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESCCCCn1cc(CN(C(=O)C2CNCCC2c2ccn(C)c(=O)c2)C2CC2)c2ccccc21
InChIInChI=1S/C28H36N4O2/c1-3-4-14-31-18-21(24-7-5-6-8-26(24)31)19-32(22-9-10-22)28(34)25-17-29-13-11-23(25)20-12-15-30(2)27(33)16-20/h5-8,12,15-16,18,22-23,25,29H,3-4,9-11,13-14,17,19H2,1-2H3
InChIKeyKNMCIRFVNCJPOU-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.02
Rot. Bonds8

About N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (PubChem CID 67061950) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
PubChem CID67061950
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC NameN-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESCCCCn1cc(CN(C(=O)C2CNCCC2c2ccn(C)c(=O)c2)C2CC2)c2ccccc21
InChIInChI=1S/C28H36N4O2/c1-3-4-14-31-18-21(24-7-5-6-8-26(24)31)19-32(22-9-10-22)28(34)25-17-29-13-11-23(25)20-12-15-30(2)27(33)16-20/h5-8,12,15-16,18,22-23,25,29H,3-4,9-11,13-14,17,19H2,1-2H3
InChIKeyKNMCIRFVNCJPOU-UHFFFAOYSA-N
XLogP4.02
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (CID 67061950) is N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is CCCCn1cc(CN(C(=O)C2CNCCC2c2ccn(C)c(=O)c2)C2CC2)c2ccccc21.
What is the InChIKey of N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The InChIKey is KNMCIRFVNCJPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-3-4-14-31-18-21(24-7-5-6-8-26(24)31)19-32(22-9-10-22)28(34)25-17-29-13-11-23(25)20-12-15-30(2)27(33)16-20/h5-8,12,15-16,18,22-23,25,29H,3-4,9-11,13-14,17,19H2,1-2H3.
What are the key properties of N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 67061950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).