6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide

C26H32N4O2 — CID 56508501

IUPAC6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide
SMILESCC(C)(C)c1ccc2cc(C(=O)Nc3ccc(CN4CCCC(C(N)=O)C4)cc3)[nH]c2c1
InChIInChI=1S/C26H32N4O2/c1-26(2,3)20-9-8-18-13-23(29-22(18)14-20)25(32)28-21-10-6-17(7-11-21)15-30-12-4-5-19(16-30)24(27)31/h6-11,13-14,19,29H,4-5,12,15-16H2,1-3H3,(H2,27,31)(H,28,32)
InChIKeyOVXKDKHHKLHHMG-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.41
Rot. Bonds5

About 6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide

6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide (PubChem CID 56508501) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide
PubChem CID56508501
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide
SMILESCC(C)(C)c1ccc2cc(C(=O)Nc3ccc(CN4CCCC(C(N)=O)C4)cc3)[nH]c2c1
InChIInChI=1S/C26H32N4O2/c1-26(2,3)20-9-8-18-13-23(29-22(18)14-20)25(32)28-21-10-6-17(7-11-21)15-30-12-4-5-19(16-30)24(27)31/h6-11,13-14,19,29H,4-5,12,15-16H2,1-3H3,(H2,27,31)(H,28,32)
InChIKeyOVXKDKHHKLHHMG-UHFFFAOYSA-N
XLogP4.41
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
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1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872095
1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506760
1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
CID 3997008
1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506880
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872151
1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506879
(3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 95249956
1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507013

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide (CID 56508501) is 6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide is CC(C)(C)c1ccc2cc(C(=O)Nc3ccc(CN4CCCC(C(N)=O)C4)cc3)[nH]c2c1.
What is the InChIKey of 6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide?
The InChIKey is OVXKDKHHKLHHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-26(2,3)20-9-8-18-13-23(29-22(18)14-20)25(32)28-21-10-6-17(7-11-21)15-30-12-4-5-19(16-30)24(27)31/h6-11,13-14,19,29H,4-5,12,15-16H2,1-3H3,(H2,27,31)(H,28,32).
What are the key properties of 6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide?
6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 56508501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).